REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2hfj_1_B DATA FIRST_RESID 9 DATA SEQUENCE AGMFRALFRQ AVEDDRYGEF LDVLAEASAF RPQFASPEAC SERLDPVLLA DATA SEQUENCE GGPTDXXEGR AVLVGCTGTA ANGGPHEFLR LSTSFQEERD FLAVPLPGYG DATA SEQUENCE TXXXXGTALL PADLDTALDA QARAILRAAG DAPVVLLGHS GGALLAHELA DATA SEQUENCE FRLERAHGAP PAGIVLVDPY PPGHQEPIEV WSRQLGEGLF AGELEPMSDA DATA SEQUENCE RLLAMGRYAR FLAGPRPGRS SAPVLLVRAS EPLGDWQEER GDWRAHWDLP DATA SEQUENCE HTVADVPGDH FTMMRDHAPA VAEAVLSWLD AIE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.635 177.584 0.084 0.000 1.274 9 A CA 0.000 52.084 52.037 0.079 0.000 0.836 9 A CB 0.000 19.061 19.000 0.102 0.000 0.831 10 G N -1.169 107.700 108.800 0.115 0.000 2.441 10 G HA2 0.526 4.487 3.960 0.001 0.000 0.334 10 G HA3 0.526 4.487 3.960 0.001 0.000 0.334 10 G C 0.465 175.440 174.900 0.124 0.000 1.161 10 G CA 0.239 45.416 45.100 0.129 0.000 0.935 10 G HN 0.698 nan 8.290 nan 0.000 0.488 11 M N 1.563 121.208 119.600 0.074 0.000 2.108 11 M HA 0.027 4.508 4.480 0.001 0.000 0.261 11 M C 1.960 178.273 176.300 0.022 0.000 1.066 11 M CA 1.513 56.808 55.300 -0.009 0.000 1.107 11 M CB -0.776 31.751 32.600 -0.121 0.000 1.356 11 M HN 0.557 nan 8.290 nan 0.000 0.406 12 F N -0.444 119.601 119.950 0.159 0.000 2.126 12 F HA -0.213 4.314 4.527 0.001 0.000 0.299 12 F C 2.659 178.619 175.800 0.266 0.000 1.096 12 F CA 2.024 60.180 58.000 0.261 0.000 1.255 12 F CB -0.618 38.509 39.000 0.212 0.000 0.997 12 F HN 0.190 nan 8.300 nan 0.000 0.479 13 R N 0.608 121.348 120.500 0.399 0.000 2.081 13 R HA -0.180 4.161 4.340 0.001 0.000 0.235 13 R C 2.345 178.847 176.300 0.337 0.000 1.131 13 R CA 1.367 57.708 56.100 0.402 0.000 0.960 13 R CB -0.524 29.971 30.300 0.326 0.000 0.856 13 R HN 0.264 nan 8.270 nan 0.000 0.436 14 A N 1.117 124.044 122.820 0.180 0.000 1.883 14 A HA -0.147 4.174 4.320 0.001 0.000 0.217 14 A C 2.215 179.789 177.584 -0.017 0.000 1.186 14 A CA 1.400 53.473 52.037 0.061 0.000 0.624 14 A CB -0.585 18.430 19.000 0.025 0.000 0.822 14 A HN 0.355 nan 8.150 nan 0.000 0.444 15 L N -2.174 119.025 121.223 -0.040 0.000 2.046 15 L HA -0.155 4.186 4.340 0.001 0.000 0.208 15 L C 2.489 179.034 176.870 -0.542 0.000 1.077 15 L CA 1.462 56.166 54.840 -0.227 0.000 0.747 15 L CB -0.609 41.377 42.059 -0.121 0.000 0.896 15 L HN 0.441 nan 8.230 nan 0.000 0.432 16 F N 1.007 120.529 119.950 -0.713 0.000 2.126 16 F HA -0.217 4.310 4.527 0.001 0.000 0.299 16 F C 2.776 178.516 175.800 -0.101 0.000 1.096 16 F CA 1.534 59.194 58.000 -0.568 0.000 1.255 16 F CB -0.441 38.591 39.000 0.053 0.000 0.997 16 F HN -0.104 nan 8.300 nan 0.000 0.479 17 R N -0.204 120.256 120.500 -0.067 0.000 2.083 17 R HA -0.260 4.081 4.340 0.001 0.000 0.237 17 R C 2.348 178.432 176.300 -0.360 0.000 1.137 17 R CA 1.987 57.790 56.100 -0.495 0.000 0.951 17 R CB -0.459 29.528 30.300 -0.521 0.000 0.851 17 R HN 0.311 nan 8.270 nan 0.000 0.434 18 Q N -0.008 119.647 119.800 -0.243 0.000 2.079 18 Q HA -0.062 4.279 4.340 0.001 0.000 0.200 18 Q C 1.803 177.714 176.000 -0.149 0.000 0.974 18 Q CA 2.031 57.728 55.803 -0.177 0.000 0.840 18 Q CB -0.261 28.398 28.738 -0.131 0.000 0.898 18 Q HN 0.427 nan 8.270 nan 0.000 0.430 19 A N -0.569 122.143 122.820 -0.181 0.000 1.908 19 A HA -0.160 4.160 4.320 0.001 0.000 0.218 19 A C 2.262 179.828 177.584 -0.030 0.000 1.181 19 A CA 1.793 53.786 52.037 -0.073 0.000 0.627 19 A CB -0.941 18.028 19.000 -0.053 0.000 0.818 19 A HN 0.276 nan 8.150 nan 0.000 0.445 20 V N -0.074 119.765 119.914 -0.124 0.000 2.295 20 V HA -0.279 3.842 4.120 0.001 0.000 0.246 20 V C 2.510 178.566 176.094 -0.065 0.000 1.049 20 V CA 2.294 64.549 62.300 -0.076 0.000 1.024 20 V CB -0.794 30.924 31.823 -0.175 0.000 0.648 20 V HN 0.757 nan 8.190 nan 0.000 0.447 21 E N 0.090 120.217 120.200 -0.121 0.000 2.097 21 E HA -0.277 4.074 4.350 0.001 0.000 0.196 21 E C 1.382 177.955 176.600 -0.044 0.000 1.000 21 E CA 1.612 57.955 56.400 -0.094 0.000 0.804 21 E CB -0.069 29.556 29.700 -0.124 0.000 0.740 21 E HN 0.588 nan 8.360 nan 0.000 0.454 22 D N 0.523 120.905 120.400 -0.029 0.000 2.336 22 D HA -0.041 4.600 4.640 0.001 0.000 0.229 22 D C -0.131 176.189 176.300 0.033 0.000 1.061 22 D CA 0.495 54.496 54.000 0.001 0.000 0.875 22 D CB -0.150 40.654 40.800 0.006 0.000 0.904 22 D HN 0.183 nan 8.370 nan 0.000 0.525 23 D N 0.673 121.099 120.400 0.043 0.000 2.699 23 D HA -0.228 4.413 4.640 0.001 0.000 0.239 23 D C -0.275 176.095 176.300 0.118 0.000 1.136 23 D CA 0.486 54.534 54.000 0.080 0.000 0.668 23 D CB -0.893 39.945 40.800 0.063 0.000 1.060 23 D HN 0.263 nan 8.370 nan 0.000 0.429 24 R N 0.220 120.808 120.500 0.146 0.000 2.727 24 R HA 0.131 4.472 4.340 0.001 0.000 0.410 24 R C 1.041 177.507 176.300 0.276 0.000 1.101 24 R CA -0.473 55.736 56.100 0.183 0.000 1.045 24 R CB -0.051 30.337 30.300 0.147 0.000 1.380 24 R HN 0.275 nan 8.270 nan 0.000 0.587 25 Y N 0.936 121.347 120.300 0.185 0.000 2.069 25 Y HA -0.266 4.285 4.550 0.001 0.000 0.278 25 Y C 2.218 178.305 175.900 0.311 0.000 1.175 25 Y CA 2.387 60.659 58.100 0.288 0.000 1.134 25 Y CB -0.239 38.361 38.460 0.233 0.000 0.965 25 Y HN 0.249 nan 8.280 nan 0.000 0.498 26 G N -0.578 108.443 108.800 0.369 0.000 2.418 26 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 26 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 26 G C 1.472 176.450 174.900 0.129 0.000 1.158 26 G CA 1.042 46.280 45.100 0.229 0.000 0.771 26 G HN 0.531 nan 8.290 nan 0.000 0.545 27 E N -0.581 119.714 120.200 0.157 0.000 2.051 27 E HA -0.116 4.235 4.350 0.001 0.000 0.192 27 E C 2.116 178.801 176.600 0.143 0.000 0.991 27 E CA 0.793 57.273 56.400 0.134 0.000 0.799 27 E CB -0.229 29.562 29.700 0.152 0.000 0.748 27 E HN 0.426 nan 8.360 nan 0.000 0.449 28 F N 1.229 121.223 119.950 0.073 0.000 2.186 28 F HA -0.173 4.355 4.527 0.001 0.000 0.299 28 F C 1.993 177.784 175.800 -0.015 0.000 1.090 28 F CA 0.837 58.888 58.000 0.085 0.000 1.307 28 F CB -0.034 39.099 39.000 0.222 0.000 1.019 28 F HN -0.006 nan 8.300 nan 0.000 0.489 29 L N 0.128 121.287 121.223 -0.106 0.000 2.042 29 L HA -0.257 4.084 4.340 0.001 0.000 0.210 29 L C 2.044 178.779 176.870 -0.225 0.000 1.076 29 L CA 1.902 56.597 54.840 -0.243 0.000 0.749 29 L CB -1.384 40.544 42.059 -0.219 0.000 0.893 29 L HN 0.154 nan 8.230 nan 0.000 0.432 30 D N -0.662 119.656 120.400 -0.136 0.000 2.117 30 D HA -0.139 4.502 4.640 0.001 0.000 0.197 30 D C 2.335 178.537 176.300 -0.162 0.000 0.987 30 D CA 0.898 54.830 54.000 -0.113 0.000 0.829 30 D CB -0.008 40.766 40.800 -0.044 0.000 0.961 30 D HN 0.144 nan 8.370 nan 0.000 0.460 31 V N 1.221 121.000 119.914 -0.225 0.000 2.343 31 V HA -0.226 3.895 4.120 0.001 0.000 0.247 31 V C 2.686 178.587 176.094 -0.322 0.000 1.051 31 V CA 1.151 63.298 62.300 -0.255 0.000 1.036 31 V CB -0.479 31.147 31.823 -0.328 0.000 0.654 31 V HN 0.191 nan 8.190 nan 0.000 0.451 32 L N -0.016 120.895 121.223 -0.520 0.000 2.046 32 L HA -0.183 4.158 4.340 0.001 0.000 0.208 32 L C 2.744 179.406 176.870 -0.347 0.000 1.077 32 L CA 1.615 56.164 54.840 -0.484 0.000 0.747 32 L CB -0.824 40.914 42.059 -0.535 0.000 0.896 32 L HN 0.368 nan 8.230 nan 0.000 0.432 33 A N -0.234 122.413 122.820 -0.288 0.000 1.883 33 A HA -0.200 4.120 4.320 0.001 0.000 0.217 33 A C 2.211 179.666 177.584 -0.214 0.000 1.186 33 A CA 1.577 53.461 52.037 -0.255 0.000 0.624 33 A CB -0.387 18.489 19.000 -0.206 0.000 0.822 33 A HN 0.372 nan 8.150 nan 0.000 0.444 34 E N 0.030 120.139 120.200 -0.152 0.000 2.077 34 E HA -0.157 4.194 4.350 0.001 0.000 0.193 34 E C 2.315 178.887 176.600 -0.046 0.000 0.989 34 E CA 1.323 57.669 56.400 -0.091 0.000 0.800 34 E CB -0.716 28.974 29.700 -0.017 0.000 0.746 34 E HN 0.590 nan 8.360 nan 0.000 0.452 35 A N 1.700 124.513 122.820 -0.012 0.000 1.969 35 A HA -0.163 4.158 4.320 0.001 0.000 0.218 35 A C 2.392 179.977 177.584 0.002 0.000 1.169 35 A CA 1.981 54.087 52.037 0.116 0.000 0.635 35 A CB -0.601 18.453 19.000 0.089 0.000 0.810 35 A HN 0.332 nan 8.150 nan 0.000 0.445 36 S N 0.191 115.782 115.700 -0.183 0.000 2.469 36 S HA 0.042 4.513 4.470 0.001 0.000 0.238 36 S C 1.911 176.369 174.600 -0.237 0.000 0.998 36 S CA 1.157 59.219 58.200 -0.229 0.000 0.957 36 S CB -0.606 62.409 63.200 -0.308 0.000 0.764 36 S HN 0.928 nan 8.310 nan 0.000 0.514 37 A N 0.644 123.260 122.820 -0.340 0.000 2.076 37 A HA 0.099 4.420 4.320 0.001 0.000 0.220 37 A C 1.319 178.537 177.584 -0.611 0.000 1.160 37 A CA 1.082 52.788 52.037 -0.552 0.000 0.653 37 A CB -0.786 17.723 19.000 -0.819 0.000 0.801 37 A HN 0.640 nan 8.150 nan 0.000 0.455 38 F N -0.534 119.381 119.950 -0.058 0.000 2.647 38 F HA 0.297 4.825 4.527 0.001 0.000 0.300 38 F C 0.820 176.601 175.800 -0.032 0.000 1.106 38 F CA -0.447 57.534 58.000 -0.033 0.000 1.313 38 F CB 0.293 39.285 39.000 -0.013 0.000 1.007 38 F HN -0.086 nan 8.300 nan 0.000 0.536 39 R N 0.969 121.495 120.500 0.044 0.000 2.486 39 R HA 0.398 4.739 4.340 0.001 0.000 0.286 39 R C -2.501 173.802 176.300 0.005 0.000 0.999 39 R CA -2.092 54.017 56.100 0.015 0.000 0.993 39 R CB 0.200 30.472 30.300 -0.046 0.000 1.084 39 R HN -0.082 nan 8.270 nan 0.000 0.487 40 P HA 0.040 nan 4.420 nan 0.000 0.266 40 P C -0.688 176.634 177.300 0.036 0.000 1.195 40 P CA 0.217 63.338 63.100 0.035 0.000 0.768 40 P CB 0.580 32.310 31.700 0.050 0.000 0.838 41 Q N 1.175 120.996 119.800 0.035 0.000 2.458 41 Q HA 0.621 4.962 4.340 0.001 0.000 0.282 41 Q C -0.870 175.196 176.000 0.111 0.000 1.106 41 Q CA -0.852 54.962 55.803 0.017 0.000 0.814 41 Q CB 1.847 30.539 28.738 -0.077 0.000 1.425 41 Q HN 0.460 nan 8.270 nan 0.000 0.437 42 F N -1.378 118.580 119.950 0.013 0.000 2.469 42 F HA 0.809 5.337 4.527 0.002 0.000 0.332 42 F C 0.143 175.950 175.800 0.011 0.000 1.103 42 F CA -0.825 57.185 58.000 0.016 0.000 0.979 42 F CB 1.167 40.184 39.000 0.027 0.000 1.137 42 F HN 0.537 nan 8.300 nan 0.000 0.463 43 A N 2.205 125.080 122.820 0.093 0.000 2.382 43 A HA 0.464 4.785 4.320 0.001 0.000 0.228 43 A C 0.360 177.974 177.584 0.051 0.000 1.217 43 A CA 0.549 52.583 52.037 -0.006 0.000 0.923 43 A CB -0.514 18.486 19.000 -0.000 0.000 0.979 43 A HN 0.896 nan 8.150 nan 0.000 0.515 44 S N -1.969 113.832 115.700 0.168 0.000 2.546 44 S HA 0.584 5.055 4.470 0.001 0.000 0.274 44 S C -2.675 172.087 174.600 0.270 0.000 1.121 44 S CA -1.127 57.167 58.200 0.156 0.000 0.887 44 S CB 1.860 65.118 63.200 0.096 0.000 1.094 44 S HN -0.121 nan 8.310 nan 0.000 0.474 45 P HA -0.120 nan 4.420 nan 0.000 0.216 45 P C 0.875 178.222 177.300 0.077 0.000 1.150 45 P CA 1.488 64.708 63.100 0.200 0.000 0.843 45 P CB -0.031 31.755 31.700 0.143 0.000 0.787 46 E N -0.003 120.235 120.200 0.064 0.000 2.118 46 E HA -0.144 4.207 4.350 0.001 0.000 0.195 46 E C 2.020 178.614 176.600 -0.011 0.000 0.992 46 E CA 1.550 57.961 56.400 0.018 0.000 0.804 46 E CB -1.111 28.606 29.700 0.027 0.000 0.741 46 E HN 0.208 nan 8.360 nan 0.000 0.458 47 A N 0.434 123.275 122.820 0.035 0.000 2.235 47 A HA -0.011 4.310 4.320 0.001 0.000 0.208 47 A C 0.967 178.476 177.584 -0.124 0.000 1.172 47 A CA -0.108 51.948 52.037 0.031 0.000 0.786 47 A CB -0.619 18.465 19.000 0.140 0.000 0.804 47 A HN 0.401 nan 8.150 nan 0.000 0.479 48 C N 1.946 120.975 119.300 -0.452 0.000 2.523 48 C HA 0.219 4.680 4.460 0.001 0.000 0.406 48 C C 2.218 176.934 174.990 -0.456 0.000 1.449 48 C CA 0.496 58.883 59.018 -1.052 0.000 1.588 48 C CB -0.769 26.365 27.740 -1.009 0.000 2.514 48 C HN 0.677 nan 8.230 nan 0.000 0.606 49 S N 3.252 118.744 115.700 -0.347 0.000 2.527 49 S HA 0.020 4.491 4.470 0.001 0.000 0.222 49 S C 0.413 174.954 174.600 -0.097 0.000 0.985 49 S CA 0.364 58.484 58.200 -0.133 0.000 0.921 49 S CB -0.183 62.992 63.200 -0.041 0.000 0.772 49 S HN 0.942 nan 8.310 nan 0.000 0.529 50 E N 0.795 120.920 120.200 -0.126 0.000 2.244 50 E HA 0.428 4.779 4.350 0.001 0.000 0.266 50 E C -1.143 175.420 176.600 -0.061 0.000 0.914 50 E CA -1.178 55.187 56.400 -0.059 0.000 0.794 50 E CB 1.176 30.869 29.700 -0.012 0.000 1.210 50 E HN 0.124 nan 8.360 nan 0.000 0.414 51 R N 1.748 122.231 120.500 -0.029 0.000 2.248 51 R HA 0.228 4.569 4.340 0.001 0.000 0.328 51 R C 0.264 176.558 176.300 -0.010 0.000 1.067 51 R CA -0.118 55.968 56.100 -0.022 0.000 0.924 51 R CB 0.440 30.733 30.300 -0.011 0.000 1.013 51 R HN 0.488 nan 8.270 nan 0.000 0.454 52 L N 2.609 123.823 121.223 -0.015 0.000 2.783 52 L HA 0.141 4.482 4.340 0.001 0.000 0.236 52 L C -0.493 176.374 176.870 -0.005 0.000 1.225 52 L CA -0.167 54.672 54.840 -0.002 0.000 1.026 52 L CB -0.156 41.902 42.059 -0.001 0.000 1.314 52 L HN 0.510 nan 8.230 nan 0.000 0.489 53 D N 2.024 122.421 120.400 -0.005 0.000 2.472 53 D HA 0.076 4.717 4.640 0.001 0.000 0.248 53 D C -2.070 174.229 176.300 -0.001 0.000 1.174 53 D CA -0.606 53.390 54.000 -0.007 0.000 0.883 53 D CB 0.349 41.147 40.800 -0.003 0.000 1.149 53 D HN 0.021 nan 8.370 nan 0.000 0.488 54 P HA 0.023 nan 4.420 nan 0.000 0.269 54 P C -0.698 176.608 177.300 0.010 0.000 1.215 54 P CA -0.476 62.618 63.100 -0.010 0.000 0.780 54 P CB 0.586 32.258 31.700 -0.046 0.000 0.898 55 V N 0.654 120.590 119.914 0.037 0.000 2.483 55 V HA 0.435 4.556 4.120 0.001 0.000 0.295 55 V C -0.311 175.827 176.094 0.073 0.000 1.035 55 V CA -1.128 61.205 62.300 0.056 0.000 0.896 55 V CB 1.292 33.161 31.823 0.077 0.000 0.986 55 V HN 0.274 nan 8.190 nan 0.000 0.447 56 L N 5.051 126.311 121.223 0.062 0.000 2.325 56 L HA 0.414 4.755 4.340 0.001 0.000 0.284 56 L C 0.555 177.491 176.870 0.110 0.000 1.089 56 L CA 0.515 55.401 54.840 0.078 0.000 0.836 56 L CB 0.359 42.446 42.059 0.047 0.000 1.184 56 L HN 0.808 nan 8.230 nan 0.000 0.444 57 L N 4.779 126.108 121.223 0.176 0.000 2.515 57 L HA 0.492 4.833 4.340 0.001 0.000 0.223 57 L C 0.594 177.535 176.870 0.117 0.000 1.079 57 L CA 0.213 55.143 54.840 0.149 0.000 0.857 57 L CB -0.045 42.119 42.059 0.174 0.000 1.050 57 L HN 0.728 nan 8.230 nan 0.000 0.476 58 A N -0.281 122.637 122.820 0.162 0.000 2.515 58 A HA 0.745 5.066 4.320 0.001 0.000 0.298 58 A C -0.600 177.057 177.584 0.122 0.000 1.059 58 A CA -0.198 51.924 52.037 0.141 0.000 0.698 58 A CB 1.401 20.520 19.000 0.199 0.000 1.289 58 A HN 0.038 nan 8.150 nan 0.000 0.404 59 G N 0.172 109.026 108.800 0.090 0.000 2.470 59 G HA2 0.602 4.562 3.960 0.001 0.000 0.320 59 G HA3 0.602 4.562 3.960 0.001 0.000 0.320 59 G C 0.133 175.071 174.900 0.063 0.000 1.245 59 G CA 0.130 45.268 45.100 0.063 0.000 0.935 59 G HN 1.169 nan 8.290 nan 0.000 0.476 60 G N 1.226 110.055 108.800 0.048 0.000 2.557 60 G HA2 0.670 4.631 3.960 0.001 0.000 0.292 60 G HA3 0.670 4.631 3.960 0.001 0.000 0.292 60 G C -2.477 172.439 174.900 0.028 0.000 1.237 60 G CA -1.174 43.953 45.100 0.044 0.000 0.978 60 G HN 0.539 nan 8.290 nan 0.000 0.498 61 P HA 0.251 nan 4.420 nan 0.000 0.272 61 P C -0.304 177.001 177.300 0.007 0.000 1.223 61 P CA -0.094 63.015 63.100 0.015 0.000 0.784 61 P CB 1.114 32.822 31.700 0.013 0.000 0.923 62 T N 1.706 116.263 114.554 0.005 0.000 2.756 62 T HA 0.411 4.762 4.350 0.001 0.000 0.290 62 T C -0.968 173.732 174.700 -0.001 0.000 0.985 62 T CA -0.277 61.823 62.100 0.001 0.000 0.955 62 T CB -0.285 68.583 68.868 0.001 0.000 0.930 62 T HN 0.359 nan 8.240 nan 0.000 0.451 67 G N 2.507 111.284 108.800 -0.039 0.000 2.147 67 G HA2 -0.294 3.666 3.960 0.001 0.000 0.244 67 G HA3 -0.294 3.666 3.960 0.001 0.000 0.244 67 G C 0.086 174.952 174.900 -0.057 0.000 1.005 67 G CA 0.724 45.796 45.100 -0.047 0.000 0.713 67 G HN 0.345 nan 8.290 nan 0.000 0.515 68 R N 0.229 120.696 120.500 -0.056 0.000 2.490 68 R HA 0.572 4.913 4.340 0.001 0.000 0.280 68 R C 1.009 177.261 176.300 -0.080 0.000 1.077 68 R CA 0.136 56.197 56.100 -0.066 0.000 1.065 68 R CB 0.706 30.974 30.300 -0.052 0.000 1.003 68 R HN 0.565 nan 8.270 nan 0.000 0.470 69 A N 2.405 125.165 122.820 -0.100 0.000 2.498 69 A HA 0.218 4.539 4.320 0.001 0.000 0.239 69 A C 0.334 177.844 177.584 -0.122 0.000 1.068 69 A CA -0.498 51.469 52.037 -0.117 0.000 0.766 69 A CB 0.220 19.135 19.000 -0.140 0.000 1.003 69 A HN 0.585 nan 8.150 nan 0.000 0.497 70 V N 1.696 121.527 119.914 -0.138 0.000 2.532 70 V HA 0.674 4.795 4.120 0.001 0.000 0.295 70 V C -0.071 175.873 176.094 -0.249 0.000 1.041 70 V CA -0.901 61.297 62.300 -0.171 0.000 0.926 70 V CB 1.021 32.754 31.823 -0.150 0.000 0.992 70 V HN 0.692 nan 8.190 nan 0.000 0.457 71 L N 4.440 125.453 121.223 -0.350 0.000 2.305 71 L HA 0.549 4.889 4.340 0.001 0.000 0.281 71 L C -0.433 175.995 176.870 -0.736 0.000 1.085 71 L CA -0.392 54.128 54.840 -0.533 0.000 0.813 71 L CB 1.700 43.354 42.059 -0.675 0.000 1.157 71 L HN 0.581 nan 8.230 nan 0.000 0.436 72 V N 2.644 122.159 119.914 -0.665 0.000 2.376 72 V HA 0.396 4.517 4.120 0.001 0.000 0.287 72 V C 0.558 176.208 176.094 -0.740 0.000 1.015 72 V CA -0.672 61.239 62.300 -0.649 0.000 0.834 72 V CB 1.445 33.050 31.823 -0.364 0.000 1.001 72 V HN 0.855 nan 8.190 nan 0.000 0.428 73 G N 3.140 111.309 108.800 -1.053 0.000 2.349 73 G HA2 0.331 4.291 3.960 0.001 0.000 0.281 73 G HA3 0.331 4.291 3.960 0.001 0.000 0.281 73 G C -0.108 174.586 174.900 -0.342 0.000 1.182 73 G CA -0.153 44.309 45.100 -1.064 0.000 0.899 73 G HN 0.771 nan 8.290 nan 0.000 0.455 74 C N 2.939 122.195 119.300 -0.073 0.000 2.225 74 C HA 0.327 4.788 4.460 0.001 0.000 0.328 74 C C 1.142 176.306 174.990 0.290 0.000 1.187 74 C CA -0.625 58.445 59.018 0.086 0.000 1.665 74 C CB -0.814 26.943 27.740 0.027 0.000 2.253 74 C HN 0.764 nan 8.230 nan 0.000 0.497 75 T N 3.464 118.164 114.554 0.242 0.000 2.866 75 T HA 0.260 4.611 4.350 0.001 0.000 0.293 75 T C 0.968 175.610 174.700 -0.097 0.000 1.005 75 T CA 0.545 62.680 62.100 0.059 0.000 1.162 75 T CB 0.465 69.294 68.868 -0.066 0.000 0.968 75 T HN 0.911 nan 8.240 nan 0.000 0.530 76 G N 1.800 110.511 108.800 -0.148 0.000 2.535 76 G HA2 0.355 4.316 3.960 0.001 0.000 0.282 76 G HA3 0.355 4.316 3.960 0.001 0.000 0.282 76 G C 1.183 175.924 174.900 -0.265 0.000 1.350 76 G CA -0.090 44.924 45.100 -0.144 0.000 1.039 76 G HN 0.744 nan 8.290 nan 0.000 0.509 77 T N -2.801 111.665 114.554 -0.147 0.000 3.065 77 T HA 0.418 4.769 4.350 0.001 0.000 0.252 77 T C 1.273 175.992 174.700 0.031 0.000 1.099 77 T CA 0.642 62.685 62.100 -0.095 0.000 1.063 77 T CB -0.080 68.829 68.868 0.068 0.000 0.948 77 T HN 0.896 nan 8.240 nan 0.000 0.506 78 A N 1.205 124.029 122.820 0.006 0.000 2.566 78 A HA 0.600 4.921 4.320 0.001 0.000 0.245 78 A C 1.816 179.467 177.584 0.113 0.000 1.056 78 A CA 0.262 52.350 52.037 0.086 0.000 0.757 78 A CB -0.349 18.701 19.000 0.083 0.000 0.979 78 A HN 0.662 nan 8.150 nan 0.000 0.508 79 A N 2.833 125.746 122.820 0.155 0.000 2.121 79 A HA -0.129 4.192 4.320 0.001 0.000 0.218 79 A C 1.603 179.265 177.584 0.131 0.000 1.154 79 A CA 1.541 53.685 52.037 0.178 0.000 0.679 79 A CB -0.496 18.535 19.000 0.052 0.000 0.795 79 A HN 1.033 nan 8.150 nan 0.000 0.458 80 N N -0.083 118.674 118.700 0.094 0.000 2.336 80 N HA 0.164 4.905 4.740 0.001 0.000 0.189 80 N C 0.753 176.370 175.510 0.179 0.000 1.113 80 N CA 0.752 53.865 53.050 0.104 0.000 0.858 80 N CB -0.447 38.076 38.487 0.060 0.000 0.970 80 N HN 0.232 nan 8.380 nan 0.000 0.471 81 G N -1.446 107.396 108.800 0.070 0.000 2.574 81 G HA2 0.638 4.599 3.960 0.001 0.000 0.248 81 G HA3 0.638 4.599 3.960 0.001 0.000 0.248 81 G C 0.235 175.039 174.900 -0.161 0.000 1.422 81 G CA -0.117 44.902 45.100 -0.135 0.000 1.051 81 G HN 0.591 nan 8.290 nan 0.000 0.560 82 G N -1.422 107.139 108.800 -0.397 0.000 2.217 82 G HA2 0.039 3.999 3.960 0.001 0.000 0.173 82 G HA3 0.039 3.999 3.960 0.001 0.000 0.173 82 G C -2.184 172.559 174.900 -0.261 0.000 1.324 82 G CA 0.323 45.293 45.100 -0.217 0.000 1.225 82 G HN 0.481 nan 8.290 nan 0.000 0.494 83 P HA -0.005 nan 4.420 nan 0.000 0.219 83 P C 1.364 178.691 177.300 0.045 0.000 1.146 83 P CA 1.918 65.046 63.100 0.048 0.000 0.808 83 P CB -0.290 31.482 31.700 0.121 0.000 0.779 84 H N -1.177 117.880 119.070 -0.022 0.000 2.548 84 H HA 0.102 4.658 4.556 0.001 0.000 0.268 84 H C 1.692 176.972 175.328 -0.080 0.000 0.975 84 H CA 0.579 56.608 56.048 -0.031 0.000 1.195 84 H CB -0.761 28.982 29.762 -0.031 0.000 1.397 84 H HN 0.225 nan 8.280 nan 0.000 0.572 85 E N 1.091 120.980 120.200 -0.519 0.000 2.065 85 E HA -0.214 4.137 4.350 0.001 0.000 0.201 85 E C 0.460 176.776 176.600 -0.473 0.000 1.016 85 E CA 1.635 57.676 56.400 -0.598 0.000 0.818 85 E CB -0.108 29.061 29.700 -0.885 0.000 0.749 85 E HN 0.402 nan 8.360 nan 0.000 0.453 86 F N 0.136 120.071 119.950 -0.026 0.000 2.660 86 F HA 0.214 4.741 4.527 0.001 0.000 0.302 86 F C 1.447 177.159 175.800 -0.146 0.000 1.103 86 F CA -0.088 57.876 58.000 -0.060 0.000 1.340 86 F CB 0.101 39.122 39.000 0.036 0.000 1.048 86 F HN 0.036 nan 8.300 nan 0.000 0.551 87 L N -0.396 120.852 121.223 0.043 0.000 2.017 87 L HA -0.189 4.152 4.340 0.001 0.000 0.208 87 L C 2.810 179.660 176.870 -0.034 0.000 1.073 87 L CA 1.430 56.276 54.840 0.010 0.000 0.745 87 L CB -0.418 41.663 42.059 0.037 0.000 0.894 87 L HN 0.087 nan 8.230 nan 0.000 0.432 88 R N -0.001 120.480 120.500 -0.033 0.000 2.075 88 R HA -0.196 4.145 4.340 0.001 0.000 0.232 88 R C 2.334 178.576 176.300 -0.097 0.000 1.126 88 R CA 1.409 57.475 56.100 -0.057 0.000 0.963 88 R CB -0.269 30.001 30.300 -0.050 0.000 0.858 88 R HN 0.167 nan 8.270 nan 0.000 0.435 89 L N 0.842 122.013 121.223 -0.086 0.000 2.012 89 L HA -0.185 4.156 4.340 0.001 0.000 0.210 89 L C 2.270 178.986 176.870 -0.257 0.000 1.073 89 L CA 2.412 57.172 54.840 -0.135 0.000 0.748 89 L CB -0.623 41.439 42.059 0.005 0.000 0.891 89 L HN 0.268 nan 8.230 nan 0.000 0.431 90 S N -1.932 113.604 115.700 -0.273 0.000 2.419 90 S HA -0.216 4.255 4.470 0.001 0.000 0.233 90 S C 1.988 176.516 174.600 -0.119 0.000 1.016 90 S CA 1.395 59.427 58.200 -0.280 0.000 0.974 90 S CB -1.605 61.347 63.200 -0.413 0.000 0.786 90 S HN 0.710 nan 8.310 nan 0.000 0.492 91 T N -0.344 114.129 114.554 -0.135 0.000 2.833 91 T HA -0.036 4.314 4.350 0.001 0.000 0.269 91 T C 1.844 176.463 174.700 -0.135 0.000 1.054 91 T CA 1.579 63.621 62.100 -0.097 0.000 1.135 91 T CB -0.928 67.890 68.868 -0.084 0.000 0.869 91 T HN 0.402 nan 8.240 nan 0.000 0.466 92 S N 0.644 116.180 115.700 -0.274 0.000 2.522 92 S HA 0.224 4.695 4.470 0.001 0.000 0.227 92 S C 0.959 175.314 174.600 -0.409 0.000 0.986 92 S CA 0.242 58.223 58.200 -0.365 0.000 0.929 92 S CB -0.406 62.495 63.200 -0.497 0.000 0.769 92 S HN 0.550 nan 8.310 nan 0.000 0.529 93 F N 1.232 121.159 119.950 -0.038 0.000 2.754 93 F HA 0.305 4.833 4.527 0.001 0.000 0.297 93 F C 1.117 176.924 175.800 0.012 0.000 1.122 93 F CA -0.542 57.461 58.000 0.005 0.000 1.400 93 F CB -0.415 38.612 39.000 0.045 0.000 1.117 93 F HN 0.069 nan 8.300 nan 0.000 0.587 94 Q N 1.666 121.540 119.800 0.123 0.000 2.263 94 Q HA 0.015 4.355 4.340 0.001 0.000 0.289 94 Q C 0.600 176.639 176.000 0.067 0.000 1.061 94 Q CA 0.677 56.531 55.803 0.084 0.000 0.927 94 Q CB 0.083 28.845 28.738 0.039 0.000 1.154 94 Q HN 0.253 nan 8.270 nan 0.000 0.378 95 E N 2.417 122.657 120.200 0.066 0.000 4.129 95 E HA -0.212 4.139 4.350 0.001 0.000 0.354 95 E C 0.019 176.657 176.600 0.062 0.000 0.673 95 E CA 1.430 57.860 56.400 0.050 0.000 1.347 95 E CB -0.983 28.736 29.700 0.032 0.000 1.722 95 E HN 0.834 nan 8.360 nan 0.000 0.410 96 E N -0.448 119.813 120.200 0.101 0.000 2.279 96 E HA 0.191 4.542 4.350 0.001 0.000 0.199 96 E C 0.597 177.263 176.600 0.110 0.000 0.893 96 E CA 0.421 56.892 56.400 0.118 0.000 0.978 96 E CB 0.715 30.524 29.700 0.182 0.000 0.964 96 E HN 0.026 nan 8.360 nan 0.000 0.486 97 R N 1.304 121.886 120.500 0.137 0.000 2.643 97 R HA 0.272 4.612 4.340 0.001 0.000 0.269 97 R C -1.265 175.070 176.300 0.058 0.000 1.037 97 R CA -0.684 55.450 56.100 0.057 0.000 0.894 97 R CB 1.336 31.624 30.300 -0.019 0.000 1.238 97 R HN -0.034 nan 8.270 nan 0.000 0.459 98 D N 1.634 122.038 120.400 0.006 0.000 2.458 98 D HA 0.096 4.736 4.640 0.001 0.000 0.243 98 D C -0.633 175.659 176.300 -0.013 0.000 1.146 98 D CA 0.774 54.780 54.000 0.009 0.000 0.877 98 D CB 0.301 41.082 40.800 -0.032 0.000 1.176 98 D HN 0.238 nan 8.370 nan 0.000 0.461 99 F N 2.839 122.724 119.950 -0.109 0.000 2.499 99 F HA 0.381 4.909 4.527 0.001 0.000 0.333 99 F C -1.265 174.468 175.800 -0.112 0.000 1.138 99 F CA -0.862 57.035 58.000 -0.171 0.000 0.945 99 F CB 0.694 39.607 39.000 -0.145 0.000 1.181 99 F HN 0.113 nan 8.300 nan 0.000 0.435 100 L N 6.133 127.147 121.223 -0.349 0.000 2.307 100 L HA 0.731 5.072 4.340 0.001 0.000 0.284 100 L C -0.170 176.532 176.870 -0.280 0.000 1.023 100 L CA -0.986 53.743 54.840 -0.184 0.000 0.810 100 L CB 1.758 43.701 42.059 -0.193 0.000 1.231 100 L HN 0.713 nan 8.230 nan 0.000 0.423 101 A N 3.434 126.265 122.820 0.019 0.000 2.260 101 A HA 0.562 4.883 4.320 0.001 0.000 0.308 101 A C -0.561 177.049 177.584 0.044 0.000 1.254 101 A CA -0.436 51.656 52.037 0.093 0.000 0.874 101 A CB 1.335 20.557 19.000 0.370 0.000 1.153 101 A HN 0.467 nan 8.150 nan 0.000 0.527 102 V N 5.268 125.186 119.914 0.006 0.000 2.439 102 V HA 0.494 4.615 4.120 0.001 0.000 0.282 102 V C -2.369 173.747 176.094 0.038 0.000 1.039 102 V CA -2.153 60.149 62.300 0.004 0.000 0.913 102 V CB 1.575 33.376 31.823 -0.038 0.000 0.983 102 V HN 0.790 nan 8.190 nan 0.000 0.460 103 P HA 0.179 nan 4.420 nan 0.000 0.272 103 P C -1.007 176.300 177.300 0.012 0.000 1.223 103 P CA -0.324 62.786 63.100 0.017 0.000 0.784 103 P CB 0.503 32.225 31.700 0.036 0.000 0.923 104 L N 5.355 126.553 121.223 -0.043 0.000 2.265 104 L HA 0.436 4.777 4.340 0.001 0.000 0.288 104 L C -2.367 174.632 176.870 0.214 0.000 1.058 104 L CA -2.484 52.341 54.840 -0.025 0.000 0.809 104 L CB 0.309 42.164 42.059 -0.340 0.000 1.179 104 L HN 0.242 nan 8.230 nan 0.000 0.429 105 P HA 0.272 nan 4.420 nan 0.000 0.265 105 P C 0.488 178.145 177.300 0.595 0.000 1.193 105 P CA 0.716 64.077 63.100 0.435 0.000 0.765 105 P CB 0.700 32.731 31.700 0.552 0.000 0.823 106 G N 1.336 110.400 108.800 0.440 0.000 2.184 106 G HA2 -0.283 3.678 3.960 0.001 0.000 0.206 106 G HA3 -0.283 3.678 3.960 0.001 0.000 0.206 106 G C 0.434 175.394 174.900 0.100 0.000 0.995 106 G CA -0.315 44.963 45.100 0.296 0.000 0.651 106 G HN 0.519 nan 8.290 nan 0.000 0.511 107 Y N 1.082 121.459 120.300 0.129 0.000 2.467 107 Y HA 0.461 5.012 4.550 0.001 0.000 0.250 107 Y C 2.101 178.038 175.900 0.061 0.000 1.155 107 Y CA 0.014 58.160 58.100 0.077 0.000 1.249 107 Y CB 0.801 39.290 38.460 0.049 0.000 1.146 107 Y HN 0.407 nan 8.280 nan 0.000 0.524 108 G N 0.146 109.059 108.800 0.189 0.000 2.537 108 G HA2 0.441 4.402 3.960 0.001 0.000 0.273 108 G HA3 0.441 4.402 3.960 0.001 0.000 0.273 108 G C -0.080 174.871 174.900 0.086 0.000 1.189 108 G CA 0.352 45.526 45.100 0.124 0.000 0.881 108 G HN 0.182 nan 8.290 nan 0.000 0.535 115 T N -0.738 113.836 114.554 0.034 0.000 2.924 115 T HA 0.837 5.188 4.350 0.001 0.000 0.291 115 T C 0.580 175.305 174.700 0.041 0.000 1.045 115 T CA -0.086 62.035 62.100 0.035 0.000 1.015 115 T CB 1.942 70.826 68.868 0.026 0.000 1.103 115 T HN 1.844 nan 8.240 nan 0.000 0.496 116 A N 2.175 125.025 122.820 0.051 0.000 2.498 116 A HA 0.497 4.818 4.320 0.001 0.000 0.239 116 A C 0.561 178.204 177.584 0.098 0.000 1.068 116 A CA -0.565 51.516 52.037 0.073 0.000 0.766 116 A CB -0.469 18.589 19.000 0.097 0.000 1.003 116 A HN 0.871 nan 8.150 nan 0.000 0.497 117 L N 2.006 123.315 121.223 0.143 0.000 2.485 117 L HA 0.099 4.440 4.340 0.001 0.000 0.275 117 L C 0.144 177.215 176.870 0.336 0.000 1.207 117 L CA 0.021 54.999 54.840 0.229 0.000 0.855 117 L CB 0.092 42.343 42.059 0.320 0.000 1.114 117 L HN 0.556 nan 8.230 nan 0.000 0.485 118 L N 4.740 126.063 121.223 0.167 0.000 2.350 118 L HA 0.367 4.708 4.340 0.001 0.000 0.275 118 L C -1.953 174.793 176.870 -0.207 0.000 1.099 118 L CA -1.988 52.880 54.840 0.046 0.000 0.808 118 L CB 1.213 43.216 42.059 -0.093 0.000 1.149 118 L HN 0.361 nan 8.230 nan 0.000 0.442 119 P HA -0.001 nan 4.420 nan 0.000 0.268 119 P C -0.007 177.035 177.300 -0.429 0.000 1.205 119 P CA -0.090 62.455 63.100 -0.925 0.000 0.771 119 P CB 1.090 32.537 31.700 -0.421 0.000 0.858 120 A N 3.403 125.935 122.820 -0.480 0.000 1.969 120 A HA -0.084 4.237 4.320 0.001 0.000 0.218 120 A C 0.608 178.097 177.584 -0.157 0.000 1.169 120 A CA 1.685 53.587 52.037 -0.225 0.000 0.635 120 A CB -0.788 18.092 19.000 -0.199 0.000 0.810 120 A HN 0.726 nan 8.150 nan 0.000 0.445 121 D N -4.303 115.882 120.400 -0.358 0.000 2.596 121 D HA 0.365 5.006 4.640 0.001 0.000 0.262 121 D C 0.266 175.932 176.300 -1.056 0.000 1.210 121 D CA -0.704 52.865 54.000 -0.719 0.000 0.873 121 D CB 0.287 40.837 40.800 -0.417 0.000 1.408 121 D HN -0.118 nan 8.370 nan 0.000 0.441 122 L N 0.536 120.882 121.223 -1.462 0.000 2.017 122 L HA -0.030 4.311 4.340 0.001 0.000 0.208 122 L C 1.185 177.896 176.870 -0.265 0.000 1.073 122 L CA 2.042 56.398 54.840 -0.807 0.000 0.745 122 L CB -0.954 40.799 42.059 -0.510 0.000 0.894 122 L HN 0.480 nan 8.230 nan 0.000 0.432 123 D N -0.910 119.364 120.400 -0.210 0.000 2.172 123 D HA -0.200 4.441 4.640 0.001 0.000 0.196 123 D C 2.033 178.327 176.300 -0.009 0.000 0.999 123 D CA 1.914 55.881 54.000 -0.055 0.000 0.856 123 D CB -0.302 40.474 40.800 -0.039 0.000 0.934 123 D HN 0.407 nan 8.370 nan 0.000 0.453 124 T N 0.436 114.947 114.554 -0.071 0.000 2.746 124 T HA -0.104 4.247 4.350 0.001 0.000 0.267 124 T C 2.018 176.825 174.700 0.178 0.000 1.039 124 T CA 1.530 63.642 62.100 0.021 0.000 1.142 124 T CB -0.270 68.534 68.868 -0.107 0.000 0.866 124 T HN 0.225 nan 8.240 nan 0.000 0.444 125 A N 1.240 124.143 122.820 0.138 0.000 1.898 125 A HA 0.067 4.387 4.320 0.001 0.000 0.216 125 A C 2.310 180.038 177.584 0.241 0.000 1.181 125 A CA 1.055 53.289 52.037 0.329 0.000 0.620 125 A CB -0.802 18.447 19.000 0.414 0.000 0.819 125 A HN 0.466 nan 8.150 nan 0.000 0.442 126 L N -0.508 120.813 121.223 0.163 0.000 2.046 126 L HA -0.191 4.150 4.340 0.001 0.000 0.208 126 L C 2.072 178.991 176.870 0.083 0.000 1.077 126 L CA 1.400 56.309 54.840 0.115 0.000 0.747 126 L CB -0.716 41.404 42.059 0.101 0.000 0.896 126 L HN 0.284 nan 8.230 nan 0.000 0.432 127 D N 0.311 120.792 120.400 0.135 0.000 2.117 127 D HA -0.154 4.487 4.640 0.001 0.000 0.197 127 D C 2.253 178.613 176.300 0.100 0.000 0.987 127 D CA 1.516 55.618 54.000 0.171 0.000 0.829 127 D CB -0.053 40.878 40.800 0.219 0.000 0.961 127 D HN 0.297 nan 8.370 nan 0.000 0.460 128 A N 0.816 123.715 122.820 0.132 0.000 1.883 128 A HA -0.255 4.066 4.320 0.001 0.000 0.217 128 A C 2.134 179.738 177.584 0.033 0.000 1.186 128 A CA 1.614 53.704 52.037 0.088 0.000 0.624 128 A CB -0.663 18.410 19.000 0.121 0.000 0.822 128 A HN 0.235 nan 8.150 nan 0.000 0.444 129 Q N -0.786 119.040 119.800 0.043 0.000 2.050 129 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 129 Q C 2.500 178.455 176.000 -0.076 0.000 0.980 129 Q CA 1.348 57.150 55.803 -0.002 0.000 0.840 129 Q CB -0.415 28.334 28.738 0.018 0.000 0.898 129 Q HN 0.687 nan 8.270 nan 0.000 0.424 130 A N 1.589 124.321 122.820 -0.147 0.000 1.892 130 A HA -0.255 4.066 4.320 0.001 0.000 0.218 130 A C 2.035 179.479 177.584 -0.234 0.000 1.188 130 A CA 1.687 53.539 52.037 -0.307 0.000 0.631 130 A CB -0.546 18.011 19.000 -0.737 0.000 0.822 130 A HN 0.258 nan 8.150 nan 0.000 0.447 131 R N -0.546 119.865 120.500 -0.149 0.000 2.091 131 R HA -0.103 4.237 4.340 0.001 0.000 0.238 131 R C 2.442 178.711 176.300 -0.051 0.000 1.136 131 R CA 1.290 57.356 56.100 -0.057 0.000 0.959 131 R CB -0.519 29.785 30.300 0.007 0.000 0.856 131 R HN 0.525 nan 8.270 nan 0.000 0.437 132 A N 1.121 123.911 122.820 -0.050 0.000 1.930 132 A HA -0.102 4.219 4.320 0.001 0.000 0.217 132 A C 2.155 179.704 177.584 -0.059 0.000 1.175 132 A CA 1.092 53.103 52.037 -0.044 0.000 0.627 132 A CB -0.371 18.609 19.000 -0.033 0.000 0.815 132 A HN 0.171 nan 8.150 nan 0.000 0.443 133 I N -0.361 120.160 120.570 -0.081 0.000 2.202 133 I HA -0.228 3.942 4.170 0.001 0.000 0.242 133 I C 2.303 178.366 176.117 -0.090 0.000 1.091 133 I CA 1.008 62.251 61.300 -0.096 0.000 1.368 133 I CB -0.275 37.653 38.000 -0.119 0.000 1.058 133 I HN 0.275 nan 8.210 nan 0.000 0.410 134 L N 0.101 121.270 121.223 -0.089 0.000 2.083 134 L HA -0.181 4.160 4.340 0.001 0.000 0.209 134 L C 2.762 179.601 176.870 -0.051 0.000 1.083 134 L CA 1.263 56.061 54.840 -0.070 0.000 0.752 134 L CB -0.592 41.430 42.059 -0.062 0.000 0.899 134 L HN 0.189 nan 8.230 nan 0.000 0.433 135 R N 0.031 120.504 120.500 -0.045 0.000 2.073 135 R HA -0.128 4.213 4.340 0.001 0.000 0.234 135 R C 2.441 178.718 176.300 -0.038 0.000 1.134 135 R CA 1.432 57.511 56.100 -0.034 0.000 0.952 135 R CB -0.519 29.765 30.300 -0.028 0.000 0.850 135 R HN 0.342 nan 8.270 nan 0.000 0.433 136 A N 1.139 123.931 122.820 -0.046 0.000 1.930 136 A HA -0.048 4.272 4.320 0.001 0.000 0.217 136 A C 2.316 179.868 177.584 -0.054 0.000 1.175 136 A CA 1.612 53.620 52.037 -0.047 0.000 0.627 136 A CB -0.440 18.527 19.000 -0.054 0.000 0.815 136 A HN 0.398 nan 8.150 nan 0.000 0.443 137 A N -1.664 121.117 122.820 -0.065 0.000 1.930 137 A HA 0.400 4.721 4.320 0.001 0.000 0.215 137 A C 2.095 179.644 177.584 -0.058 0.000 1.176 137 A CA 1.652 53.645 52.037 -0.073 0.000 0.632 137 A CB -1.104 17.844 19.000 -0.088 0.000 0.819 137 A HN 1.970 nan 8.150 nan 0.000 0.445 138 G N -0.525 108.246 108.800 -0.049 0.000 2.543 138 G HA2 -0.335 3.626 3.960 0.001 0.000 0.286 138 G HA3 -0.335 3.626 3.960 0.001 0.000 0.286 138 G C 0.463 175.338 174.900 -0.042 0.000 1.153 138 G CA 0.500 45.575 45.100 -0.040 0.000 0.968 138 G HN 0.290 nan 8.290 nan 0.000 0.544 139 D N 2.022 122.398 120.400 -0.040 0.000 2.354 139 D HA 0.407 5.048 4.640 0.001 0.000 0.209 139 D C 1.615 177.886 176.300 -0.049 0.000 1.015 139 D CA 0.960 54.936 54.000 -0.040 0.000 0.867 139 D CB -0.100 40.679 40.800 -0.034 0.000 0.933 139 D HN 0.833 nan 8.370 nan 0.000 0.520 140 A N 2.177 124.964 122.820 -0.055 0.000 2.498 140 A HA 0.324 4.645 4.320 0.001 0.000 0.239 140 A C -2.145 175.394 177.584 -0.075 0.000 1.068 140 A CA -0.758 51.240 52.037 -0.065 0.000 0.766 140 A CB -0.057 18.901 19.000 -0.069 0.000 1.003 140 A HN -0.069 nan 8.150 nan 0.000 0.497 141 P HA 0.361 nan 4.420 nan 0.000 0.272 141 P C -0.840 176.396 177.300 -0.107 0.000 1.230 141 P CA -0.245 62.801 63.100 -0.090 0.000 0.788 141 P CB 0.735 32.378 31.700 -0.096 0.000 0.949 142 V N 2.552 122.400 119.914 -0.111 0.000 2.540 142 V HA 0.302 4.423 4.120 0.001 0.000 0.302 142 V C -0.224 175.795 176.094 -0.125 0.000 1.035 142 V CA -0.643 61.578 62.300 -0.132 0.000 0.873 142 V CB 2.286 34.030 31.823 -0.131 0.000 0.992 142 V HN 0.198 nan 8.190 nan 0.000 0.428 143 V N 6.424 126.251 119.914 -0.145 0.000 2.384 143 V HA 0.453 4.574 4.120 0.001 0.000 0.287 143 V C -0.069 175.932 176.094 -0.155 0.000 1.020 143 V CA -0.495 61.744 62.300 -0.101 0.000 0.850 143 V CB 1.592 33.380 31.823 -0.058 0.000 0.987 143 V HN 0.619 nan 8.190 nan 0.000 0.436 144 L N 5.775 126.926 121.223 -0.121 0.000 2.350 144 L HA 0.604 4.945 4.340 0.001 0.000 0.275 144 L C -0.375 176.404 176.870 -0.152 0.000 1.099 144 L CA -0.265 54.479 54.840 -0.160 0.000 0.808 144 L CB 1.253 43.243 42.059 -0.116 0.000 1.149 144 L HN 0.496 nan 8.230 nan 0.000 0.442 145 L N 1.888 122.990 121.223 -0.200 0.000 2.436 145 L HA 0.886 5.226 4.340 0.001 0.000 0.268 145 L C -0.563 176.276 176.870 -0.052 0.000 0.974 145 L CA -0.050 54.710 54.840 -0.134 0.000 0.826 145 L CB 1.979 43.950 42.059 -0.147 0.000 1.291 145 L HN 0.657 nan 8.230 nan 0.000 0.406 146 G N 1.664 110.497 108.800 0.054 0.000 2.704 146 G HA2 0.343 4.304 3.960 0.001 0.000 0.293 146 G HA3 0.343 4.304 3.960 0.001 0.000 0.293 146 G C -2.350 172.684 174.900 0.224 0.000 1.421 146 G CA -0.450 44.767 45.100 0.194 0.000 0.870 146 G HN 0.770 nan 8.290 nan 0.000 0.492 147 H N 0.627 119.785 119.070 0.147 0.000 2.529 147 H HA 0.582 5.139 4.556 0.001 0.000 0.348 147 H C 0.631 175.995 175.328 0.060 0.000 1.079 147 H CA 0.384 56.476 56.048 0.075 0.000 1.198 147 H CB 1.944 31.742 29.762 0.060 0.000 1.521 147 H HN 0.978 nan 8.280 nan 0.000 0.514 148 S N 2.645 118.183 115.700 -0.270 0.000 4.116 148 S HA -0.303 4.168 4.470 0.001 0.000 0.623 148 S C 1.811 176.438 174.600 0.044 0.000 1.933 148 S CA 1.620 59.731 58.200 -0.148 0.000 4.224 148 S CB -1.721 61.207 63.200 -0.453 0.000 0.208 148 S HN 1.066 nan 8.310 nan 0.000 0.527 149 G N 0.935 109.769 108.800 0.057 0.000 2.450 149 G HA2 0.104 4.065 3.960 0.001 0.000 0.220 149 G HA3 0.104 4.065 3.960 0.001 0.000 0.220 149 G C 1.640 176.587 174.900 0.078 0.000 1.130 149 G CA 1.221 46.380 45.100 0.099 0.000 0.760 149 G HN 1.478 nan 8.290 nan 0.000 0.557 150 G N 0.919 109.745 108.800 0.043 0.000 2.448 150 G HA2 0.071 4.032 3.960 0.001 0.000 0.219 150 G HA3 0.071 4.032 3.960 0.001 0.000 0.219 150 G C 1.958 176.907 174.900 0.082 0.000 1.127 150 G CA 1.402 46.541 45.100 0.066 0.000 0.766 150 G HN 0.618 nan 8.290 nan 0.000 0.552 151 A N 0.715 123.577 122.820 0.070 0.000 1.898 151 A HA 0.117 4.438 4.320 0.001 0.000 0.216 151 A C 2.408 180.001 177.584 0.015 0.000 1.181 151 A CA 1.119 53.164 52.037 0.012 0.000 0.620 151 A CB -0.354 18.639 19.000 -0.010 0.000 0.819 151 A HN 0.345 nan 8.150 nan 0.000 0.442 152 L N -0.746 120.544 121.223 0.112 0.000 2.046 152 L HA -0.186 4.155 4.340 0.001 0.000 0.208 152 L C 2.563 179.557 176.870 0.206 0.000 1.077 152 L CA 1.171 56.137 54.840 0.210 0.000 0.747 152 L CB -0.680 41.523 42.059 0.240 0.000 0.896 152 L HN 0.358 nan 8.230 nan 0.000 0.432 153 L N -0.316 121.000 121.223 0.154 0.000 2.141 153 L HA -0.167 4.174 4.340 0.001 0.000 0.209 153 L C 2.887 179.817 176.870 0.100 0.000 1.094 153 L CA 0.965 55.890 54.840 0.141 0.000 0.763 153 L CB -0.631 41.486 42.059 0.097 0.000 0.908 153 L HN 0.236 nan 8.230 nan 0.000 0.437 154 A N -0.813 122.045 122.820 0.063 0.000 1.902 154 A HA -0.284 4.037 4.320 0.001 0.000 0.217 154 A C 2.307 179.901 177.584 0.016 0.000 1.181 154 A CA 1.772 53.816 52.037 0.011 0.000 0.623 154 A CB -0.875 18.107 19.000 -0.031 0.000 0.818 154 A HN 0.515 nan 8.150 nan 0.000 0.443 155 H N -0.295 118.768 119.070 -0.013 0.000 2.357 155 H HA -0.078 4.479 4.556 0.001 0.000 0.301 155 H C 1.702 177.126 175.328 0.161 0.000 1.082 155 H CA 1.693 57.774 56.048 0.055 0.000 1.342 155 H CB 0.032 29.854 29.762 0.100 0.000 1.389 155 H HN 0.404 nan 8.280 nan 0.000 0.511 156 E N 0.890 121.179 120.200 0.149 0.000 2.077 156 E HA -0.130 4.221 4.350 0.001 0.000 0.193 156 E C 2.496 179.149 176.600 0.088 0.000 0.989 156 E CA 0.387 56.871 56.400 0.141 0.000 0.800 156 E CB -0.551 29.270 29.700 0.201 0.000 0.746 156 E HN 0.349 nan 8.360 nan 0.000 0.452 157 L N 1.113 122.368 121.223 0.053 0.000 2.012 157 L HA -0.111 4.230 4.340 0.001 0.000 0.210 157 L C 2.198 179.053 176.870 -0.026 0.000 1.073 157 L CA 2.124 56.974 54.840 0.018 0.000 0.748 157 L CB -1.012 41.044 42.059 -0.005 0.000 0.891 157 L HN 0.060 nan 8.230 nan 0.000 0.431 158 A N -0.987 121.794 122.820 -0.065 0.000 1.883 158 A HA -0.303 4.018 4.320 0.001 0.000 0.217 158 A C 2.340 179.880 177.584 -0.073 0.000 1.186 158 A CA 2.024 54.009 52.037 -0.086 0.000 0.624 158 A CB -1.296 17.642 19.000 -0.105 0.000 0.822 158 A HN 0.551 nan 8.150 nan 0.000 0.444 159 F N 0.366 120.176 119.950 -0.234 0.000 2.095 159 F HA -0.204 4.324 4.527 0.001 0.000 0.298 159 F C 2.367 178.146 175.800 -0.035 0.000 1.104 159 F CA 2.265 60.183 58.000 -0.136 0.000 1.232 159 F CB -0.077 38.838 39.000 -0.141 0.000 0.987 159 F HN 0.202 nan 8.300 nan 0.000 0.475 160 R N 0.665 121.178 120.500 0.022 0.000 2.092 160 R HA -0.089 4.252 4.340 0.001 0.000 0.231 160 R C 2.118 178.443 176.300 0.041 0.000 1.119 160 R CA 1.600 57.711 56.100 0.017 0.000 0.970 160 R CB -0.873 29.503 30.300 0.126 0.000 0.864 160 R HN 0.453 nan 8.270 nan 0.000 0.440 161 L N 0.195 121.411 121.223 -0.012 0.000 1.989 161 L HA -0.207 4.134 4.340 0.001 0.000 0.211 161 L C 2.546 179.402 176.870 -0.023 0.000 1.071 161 L CA 2.146 56.980 54.840 -0.011 0.000 0.749 161 L CB -0.540 41.465 42.059 -0.090 0.000 0.890 161 L HN 0.395 nan 8.230 nan 0.000 0.431 162 E N -0.118 120.003 120.200 -0.132 0.000 2.031 162 E HA -0.296 4.055 4.350 0.001 0.000 0.193 162 E C 2.319 178.773 176.600 -0.244 0.000 0.994 162 E CA 1.287 57.580 56.400 -0.178 0.000 0.800 162 E CB 0.061 29.637 29.700 -0.207 0.000 0.752 162 E HN 0.128 nan 8.360 nan 0.000 0.447 163 R N 0.125 120.365 120.500 -0.434 0.000 2.062 163 R HA 0.006 4.347 4.340 0.001 0.000 0.231 163 R C 1.723 177.891 176.300 -0.222 0.000 1.136 163 R CA 1.961 57.812 56.100 -0.416 0.000 0.948 163 R CB -0.454 29.443 30.300 -0.671 0.000 0.845 163 R HN 0.217 nan 8.270 nan 0.000 0.430 164 A N -1.677 121.036 122.820 -0.179 0.000 2.288 164 A HA 0.168 4.489 4.320 0.001 0.000 0.216 164 A C 0.650 177.970 177.584 -0.440 0.000 1.199 164 A CA 0.113 51.996 52.037 -0.256 0.000 0.891 164 A CB 0.004 18.853 19.000 -0.251 0.000 0.923 164 A HN 0.446 nan 8.150 nan 0.000 0.500 165 H N -1.157 117.859 119.070 -0.091 0.000 2.785 165 H HA 0.236 4.793 4.556 0.001 0.000 0.268 165 H C 1.371 176.657 175.328 -0.069 0.000 1.153 165 H CA 0.241 56.248 56.048 -0.068 0.000 1.111 165 H CB 0.472 30.198 29.762 -0.060 0.000 1.633 165 H HN 0.546 nan 8.280 nan 0.000 0.576 166 G N 1.865 110.658 108.800 -0.012 0.000 2.296 166 G HA2 -0.275 3.686 3.960 0.001 0.000 0.282 166 G HA3 -0.275 3.686 3.960 0.001 0.000 0.282 166 G C 0.422 175.309 174.900 -0.020 0.000 1.014 166 G CA 0.558 45.640 45.100 -0.030 0.000 0.812 166 G HN 0.607 nan 8.290 nan 0.000 0.508 167 A N 0.173 122.985 122.820 -0.014 0.000 3.317 167 A HA 0.711 5.032 4.320 0.001 0.000 0.307 167 A C -1.890 175.668 177.584 -0.045 0.000 1.003 167 A CA -0.773 51.249 52.037 -0.025 0.000 0.882 167 A CB 1.368 20.360 19.000 -0.013 0.000 1.136 167 A HN 0.234 nan 8.150 nan 0.000 0.488 168 P HA 0.261 nan 4.420 nan 0.000 0.268 168 P C -2.591 174.678 177.300 -0.050 0.000 1.205 168 P CA -0.594 62.475 63.100 -0.052 0.000 0.771 168 P CB 0.275 31.952 31.700 -0.038 0.000 0.858 169 P HA 0.057 nan 4.420 nan 0.000 0.273 169 P C 0.641 177.912 177.300 -0.049 0.000 1.250 169 P CA -0.166 62.899 63.100 -0.059 0.000 0.793 169 P CB 0.329 31.994 31.700 -0.059 0.000 1.011 170 A N 0.362 123.141 122.820 -0.067 0.000 2.119 170 A HA 0.365 4.686 4.320 0.001 0.000 0.217 170 A C 1.060 178.600 177.584 -0.074 0.000 1.153 170 A CA 1.541 53.526 52.037 -0.086 0.000 0.692 170 A CB -0.880 18.047 19.000 -0.122 0.000 0.799 170 A HN 0.752 nan 8.150 nan 0.000 0.458 171 G N -1.718 107.081 108.800 -0.001 0.000 2.523 171 G HA2 0.502 4.463 3.960 0.001 0.000 0.291 171 G HA3 0.502 4.463 3.960 0.001 0.000 0.291 171 G C -1.504 173.490 174.900 0.157 0.000 1.450 171 G CA -0.655 44.542 45.100 0.163 0.000 0.790 171 G HN 0.255 nan 8.290 nan 0.000 0.496 172 I N 0.120 120.801 120.570 0.185 0.000 2.533 172 I HA 0.465 4.636 4.170 0.001 0.000 0.290 172 I C -0.551 175.466 176.117 -0.168 0.000 1.056 172 I CA -1.191 60.101 61.300 -0.014 0.000 1.057 172 I CB 2.414 40.371 38.000 -0.072 0.000 1.240 172 I HN 0.209 nan 8.210 nan 0.000 0.423 173 V N 6.925 126.733 119.914 -0.176 0.000 2.347 173 V HA 0.403 4.523 4.120 0.001 0.000 0.280 173 V C -0.059 175.896 176.094 -0.233 0.000 1.021 173 V CA -0.430 61.707 62.300 -0.272 0.000 0.847 173 V CB 1.435 33.177 31.823 -0.135 0.000 0.990 173 V HN 0.461 nan 8.190 nan 0.000 0.444 174 L N 5.970 127.002 121.223 -0.319 0.000 2.277 174 L HA 0.508 4.849 4.340 0.001 0.000 0.284 174 L C -0.448 176.326 176.870 -0.160 0.000 1.028 174 L CA -0.636 54.030 54.840 -0.290 0.000 0.835 174 L CB 1.596 43.320 42.059 -0.558 0.000 1.215 174 L HN 0.352 nan 8.230 nan 0.000 0.425 175 V N 2.334 122.237 119.914 -0.020 0.000 2.334 175 V HA 0.116 4.237 4.120 0.001 0.000 0.267 175 V C 0.023 176.220 176.094 0.171 0.000 1.040 175 V CA -0.260 62.086 62.300 0.076 0.000 0.866 175 V CB 0.722 32.626 31.823 0.135 0.000 1.019 175 V HN 0.802 nan 8.190 nan 0.000 0.468 176 D N 3.851 124.314 120.400 0.105 0.000 2.737 176 D HA -0.116 4.525 4.640 0.001 0.000 0.238 176 D C -2.247 174.133 176.300 0.133 0.000 1.157 176 D CA 0.445 54.536 54.000 0.151 0.000 0.694 176 D CB -0.034 40.990 40.800 0.374 0.000 1.021 176 D HN 0.489 nan 8.370 nan 0.000 0.420 177 P HA 0.160 nan 4.420 nan 0.000 0.279 177 P C -0.795 176.490 177.300 -0.026 0.000 1.239 177 P CA -0.194 62.954 63.100 0.080 0.000 0.789 177 P CB 0.447 32.200 31.700 0.089 0.000 0.933 178 Y N 3.594 123.998 120.300 0.174 0.000 2.863 178 Y HA 0.293 4.844 4.550 0.001 0.000 0.348 178 Y C -1.854 174.143 175.900 0.162 0.000 1.028 178 Y CA -2.151 56.033 58.100 0.140 0.000 1.213 178 Y CB 1.390 39.882 38.460 0.054 0.000 1.120 178 Y HN 0.299 nan 8.280 nan 0.000 0.598 179 P HA 0.227 nan 4.420 nan 0.000 0.279 179 P C -2.749 174.660 177.300 0.181 0.000 1.252 179 P CA -2.139 61.078 63.100 0.195 0.000 0.811 179 P CB 0.950 32.657 31.700 0.012 0.000 1.035 180 P HA -0.060 nan 4.420 nan 0.000 0.263 180 P C 1.143 178.496 177.300 0.088 0.000 1.168 180 P CA 1.956 65.108 63.100 0.087 0.000 0.759 180 P CB -0.403 31.328 31.700 0.051 0.000 0.782 181 G N 2.388 111.195 108.800 0.013 0.000 2.217 181 G HA2 -0.249 3.712 3.960 0.001 0.000 0.246 181 G HA3 -0.249 3.712 3.960 0.001 0.000 0.246 181 G C 0.587 175.258 174.900 -0.382 0.000 0.990 181 G CA -0.128 44.882 45.100 -0.150 0.000 0.627 181 G HN 0.725 nan 8.290 nan 0.000 0.522 182 H N -0.203 118.867 119.070 -0.001 0.000 2.750 182 H HA 0.250 4.807 4.556 0.001 0.000 0.252 182 H C 1.455 176.864 175.328 0.134 0.000 1.176 182 H CA 0.194 56.252 56.048 0.017 0.000 0.987 182 H CB 0.543 30.297 29.762 -0.014 0.000 1.810 182 H HN 0.537 nan 8.280 nan 0.000 0.630 183 Q N 0.453 120.347 119.800 0.156 0.000 2.280 183 Q HA 0.013 4.354 4.340 0.001 0.000 0.201 183 Q C 1.687 177.674 176.000 -0.023 0.000 0.890 183 Q CA -0.045 55.825 55.803 0.112 0.000 0.947 183 Q CB 0.862 29.654 28.738 0.091 0.000 1.081 183 Q HN 0.457 nan 8.270 nan 0.000 0.502 184 E N 1.531 121.729 120.200 -0.004 0.000 2.058 184 E HA -0.188 4.163 4.350 0.001 0.000 0.194 184 E C -0.878 175.642 176.600 -0.133 0.000 0.997 184 E CA 1.242 57.635 56.400 -0.011 0.000 0.801 184 E CB -0.253 29.501 29.700 0.091 0.000 0.746 184 E HN 0.270 nan 8.360 nan 0.000 0.450 185 P HA -0.114 nan 4.420 nan 0.000 0.217 185 P C 1.354 178.023 177.300 -1.053 0.000 1.150 185 P CA 0.867 63.371 63.100 -0.993 0.000 0.832 185 P CB 0.009 30.941 31.700 -1.281 0.000 0.787 186 I N -0.233 119.860 120.570 -0.796 0.000 2.394 186 I HA -0.175 3.996 4.170 0.001 0.000 0.251 186 I C 2.002 177.964 176.117 -0.257 0.000 1.136 186 I CA 1.523 62.481 61.300 -0.570 0.000 1.425 186 I CB -0.632 36.946 38.000 -0.704 0.000 1.079 186 I HN -0.086 nan 8.210 nan 0.000 0.425 187 E N -0.746 119.342 120.200 -0.188 0.000 2.072 187 E HA -0.162 4.189 4.350 0.001 0.000 0.191 187 E C 2.292 178.867 176.600 -0.042 0.000 0.985 187 E CA 1.299 57.666 56.400 -0.056 0.000 0.801 187 E CB -0.092 29.597 29.700 -0.018 0.000 0.750 187 E HN 0.279 nan 8.360 nan 0.000 0.452 188 V N 0.368 120.209 119.914 -0.122 0.000 2.515 188 V HA -0.171 3.950 4.120 0.001 0.000 0.250 188 V C 0.977 177.119 176.094 0.080 0.000 1.058 188 V CA 1.055 63.320 62.300 -0.058 0.000 1.064 188 V CB -0.230 31.548 31.823 -0.076 0.000 0.675 188 V HN 0.436 nan 8.190 nan 0.000 0.461 189 W N 0.045 121.330 121.300 -0.025 0.000 3.305 189 W HA 0.292 4.953 4.660 0.001 0.000 0.392 189 W C 2.211 178.658 176.519 -0.120 0.000 1.121 189 W CA 0.070 57.373 57.345 -0.070 0.000 1.909 189 W CB -1.240 28.145 29.460 -0.124 0.000 1.065 189 W HN 0.440 nan 8.180 nan 0.000 0.714 190 S N 0.074 115.805 115.700 0.052 0.000 2.399 190 S HA -0.243 4.228 4.470 0.001 0.000 0.231 190 S C 1.958 176.447 174.600 -0.186 0.000 1.022 190 S CA 1.077 59.188 58.200 -0.148 0.000 0.983 190 S CB -0.297 62.907 63.200 0.007 0.000 0.803 190 S HN 0.343 nan 8.310 nan 0.000 0.480 191 R N 1.093 121.598 120.500 0.009 0.000 2.083 191 R HA -0.150 4.191 4.340 0.001 0.000 0.237 191 R C 2.478 178.785 176.300 0.011 0.000 1.137 191 R CA 1.948 58.064 56.100 0.028 0.000 0.951 191 R CB -0.382 29.951 30.300 0.054 0.000 0.851 191 R HN 0.472 nan 8.270 nan 0.000 0.434 192 Q N 0.339 120.164 119.800 0.041 0.000 2.124 192 Q HA -0.090 4.251 4.340 0.001 0.000 0.202 192 Q C 2.148 178.248 176.000 0.167 0.000 0.977 192 Q CA 1.438 57.287 55.803 0.076 0.000 0.850 192 Q CB -0.086 28.688 28.738 0.059 0.000 0.901 192 Q HN 0.369 nan 8.270 nan 0.000 0.429 193 L N -0.560 120.729 121.223 0.111 0.000 1.989 193 L HA -0.170 4.171 4.340 0.001 0.000 0.211 193 L C 2.324 179.259 176.870 0.107 0.000 1.071 193 L CA 1.397 56.343 54.840 0.177 0.000 0.749 193 L CB -1.073 40.877 42.059 -0.181 0.000 0.890 193 L HN 0.413 nan 8.230 nan 0.000 0.431 194 G N -0.492 108.255 108.800 -0.087 0.000 2.418 194 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 194 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 194 G C 1.421 176.426 174.900 0.175 0.000 1.158 194 G CA 0.644 45.853 45.100 0.181 0.000 0.771 194 G HN 0.418 nan 8.290 nan 0.000 0.545 195 E N 0.080 120.338 120.200 0.095 0.000 2.110 195 E HA -0.031 4.320 4.350 0.001 0.000 0.193 195 E C 2.754 179.358 176.600 0.008 0.000 0.988 195 E CA 0.540 56.986 56.400 0.078 0.000 0.804 195 E CB -0.292 29.415 29.700 0.011 0.000 0.745 195 E HN 0.393 nan 8.360 nan 0.000 0.458 196 G N 1.204 109.929 108.800 -0.126 0.000 2.442 196 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 196 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 196 G C 1.561 176.288 174.900 -0.289 0.000 1.141 196 G CA 0.473 45.261 45.100 -0.520 0.000 0.763 196 G HN 0.099 nan 8.290 nan 0.000 0.554 197 L N -0.936 120.260 121.223 -0.045 0.000 2.046 197 L HA 0.005 4.346 4.340 0.001 0.000 0.208 197 L C 2.703 179.509 176.870 -0.106 0.000 1.077 197 L CA 0.955 55.790 54.840 -0.010 0.000 0.747 197 L CB -0.312 41.821 42.059 0.123 0.000 0.896 197 L HN 0.197 nan 8.230 nan 0.000 0.432 198 F N -0.646 119.324 119.950 0.033 0.000 2.146 198 F HA -0.159 4.368 4.527 0.001 0.000 0.298 198 F C 2.543 178.326 175.800 -0.028 0.000 1.096 198 F CA 1.039 59.045 58.000 0.011 0.000 1.275 198 F CB -0.527 38.457 39.000 -0.026 0.000 1.008 198 F HN -0.003 nan 8.300 nan 0.000 0.480 199 A N -0.239 122.633 122.820 0.086 0.000 2.125 199 A HA 0.001 4.322 4.320 0.001 0.000 0.219 199 A C 2.213 179.771 177.584 -0.042 0.000 1.156 199 A CA 1.544 53.577 52.037 -0.007 0.000 0.671 199 A CB -1.265 17.689 19.000 -0.076 0.000 0.794 199 A HN 0.389 nan 8.150 nan 0.000 0.459 200 G N -0.851 107.917 108.800 -0.053 0.000 3.393 200 G HA2 0.270 4.231 3.960 0.001 0.000 0.255 200 G HA3 0.270 4.231 3.960 0.001 0.000 0.255 200 G C 0.148 175.046 174.900 -0.004 0.000 1.097 200 G CA -0.320 44.755 45.100 -0.042 0.000 0.780 200 G HN 0.533 nan 8.290 nan 0.000 0.540 201 E N 0.113 120.316 120.200 0.005 0.000 2.360 201 E HA 0.284 4.635 4.350 0.001 0.000 0.269 201 E C 0.625 177.215 176.600 -0.016 0.000 1.022 201 E CA -0.223 56.183 56.400 0.010 0.000 0.887 201 E CB 1.427 31.155 29.700 0.046 0.000 0.990 201 E HN 0.142 nan 8.360 nan 0.000 0.426 202 L N 2.060 123.253 121.223 -0.051 0.000 2.500 202 L HA 0.131 4.471 4.340 0.001 0.000 0.219 202 L C 0.691 177.537 176.870 -0.040 0.000 1.057 202 L CA 0.338 55.129 54.840 -0.082 0.000 0.854 202 L CB 0.145 42.087 42.059 -0.196 0.000 1.078 202 L HN 0.559 nan 8.230 nan 0.000 0.480 203 E N -0.741 119.449 120.200 -0.016 0.000 2.433 203 E HA 0.456 4.807 4.350 0.001 0.000 0.273 203 E C -2.747 173.880 176.600 0.044 0.000 0.950 203 E CA -2.572 53.838 56.400 0.016 0.000 0.796 203 E CB 0.793 30.502 29.700 0.015 0.000 1.330 203 E HN -0.256 nan 8.360 nan 0.000 0.455 204 P HA 0.054 nan 4.420 nan 0.000 0.271 204 P C -0.509 176.842 177.300 0.086 0.000 1.226 204 P CA 0.218 63.375 63.100 0.094 0.000 0.765 204 P CB 0.322 32.083 31.700 0.102 0.000 0.835 205 M N 2.096 121.743 119.600 0.078 0.000 2.409 205 M HA -0.043 4.438 4.480 0.001 0.000 0.376 205 M C 0.909 177.262 176.300 0.088 0.000 1.631 205 M CA 0.665 56.003 55.300 0.064 0.000 0.987 205 M CB -0.395 32.215 32.600 0.017 0.000 2.090 205 M HN 0.411 nan 8.290 nan 0.000 0.474 206 S N 1.911 117.655 115.700 0.074 0.000 2.579 206 S HA 0.060 4.531 4.470 0.001 0.000 0.275 206 S C 0.562 175.198 174.600 0.060 0.000 1.345 206 S CA -0.720 57.523 58.200 0.072 0.000 1.031 206 S CB 0.928 64.162 63.200 0.057 0.000 0.892 206 S HN 0.646 nan 8.310 nan 0.000 0.529 207 D N 2.189 122.646 120.400 0.094 0.000 2.149 207 D HA -0.052 4.589 4.640 0.001 0.000 0.198 207 D C 2.226 178.474 176.300 -0.085 0.000 0.990 207 D CA 1.817 55.867 54.000 0.083 0.000 0.839 207 D CB -0.874 40.080 40.800 0.257 0.000 0.948 207 D HN 0.739 nan 8.370 nan 0.000 0.460 208 A N 0.861 123.650 122.820 -0.052 0.000 1.908 208 A HA -0.215 4.106 4.320 0.001 0.000 0.218 208 A C 2.164 179.637 177.584 -0.185 0.000 1.181 208 A CA 1.448 53.421 52.037 -0.106 0.000 0.627 208 A CB -0.414 18.558 19.000 -0.047 0.000 0.818 208 A HN 0.151 nan 8.150 nan 0.000 0.445 209 R N -0.879 119.538 120.500 -0.137 0.000 2.119 209 R HA 0.124 4.465 4.340 0.001 0.000 0.222 209 R C 2.001 178.179 176.300 -0.203 0.000 1.088 209 R CA 0.920 56.906 56.100 -0.190 0.000 0.984 209 R CB -0.387 29.932 30.300 0.031 0.000 0.884 209 R HN 0.489 nan 8.270 nan 0.000 0.447 210 L N 0.610 121.728 121.223 -0.175 0.000 2.046 210 L HA -0.184 4.157 4.340 0.001 0.000 0.208 210 L C 2.260 178.923 176.870 -0.344 0.000 1.077 210 L CA 1.244 55.939 54.840 -0.240 0.000 0.747 210 L CB -0.338 41.606 42.059 -0.191 0.000 0.896 210 L HN 0.181 nan 8.230 nan 0.000 0.432 211 L N -0.733 120.246 121.223 -0.408 0.000 2.056 211 L HA -0.175 4.165 4.340 0.001 0.000 0.207 211 L C 2.888 179.541 176.870 -0.360 0.000 1.078 211 L CA 1.053 55.628 54.840 -0.441 0.000 0.749 211 L CB -0.751 41.040 42.059 -0.447 0.000 0.901 211 L HN 0.231 nan 8.230 nan 0.000 0.433 212 A N -0.066 122.526 122.820 -0.379 0.000 1.892 212 A HA -0.318 4.002 4.320 0.001 0.000 0.218 212 A C 2.361 179.849 177.584 -0.161 0.000 1.188 212 A CA 2.310 54.102 52.037 -0.408 0.000 0.631 212 A CB -0.632 17.771 19.000 -0.995 0.000 0.822 212 A HN 0.452 nan 8.150 nan 0.000 0.447 213 M N -0.388 119.134 119.600 -0.129 0.000 2.117 213 M HA -0.111 4.370 4.480 0.001 0.000 0.262 213 M C 2.062 178.335 176.300 -0.044 0.000 1.065 213 M CA 2.009 57.343 55.300 0.057 0.000 1.114 213 M CB -0.459 32.160 32.600 0.031 0.000 1.361 213 M HN 0.407 nan 8.290 nan 0.000 0.408 214 G N -0.028 108.655 108.800 -0.196 0.000 2.418 214 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 214 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 214 G C 1.557 176.289 174.900 -0.281 0.000 1.158 214 G CA 0.966 45.920 45.100 -0.242 0.000 0.771 214 G HN 0.494 nan 8.290 nan 0.000 0.545 215 R N -0.866 119.407 120.500 -0.379 0.000 2.070 215 R HA -0.096 4.245 4.340 0.001 0.000 0.233 215 R C 2.339 178.071 176.300 -0.946 0.000 1.137 215 R CA 1.485 57.182 56.100 -0.672 0.000 0.945 215 R CB -0.475 29.390 30.300 -0.726 0.000 0.845 215 R HN 0.460 nan 8.270 nan 0.000 0.430 216 Y N 0.070 120.047 120.300 -0.538 0.000 2.181 216 Y HA -0.178 4.373 4.550 0.001 0.000 0.288 216 Y C 2.431 178.283 175.900 -0.081 0.000 1.146 216 Y CA 1.313 59.265 58.100 -0.247 0.000 1.164 216 Y CB -0.356 38.143 38.460 0.064 0.000 0.982 216 Y HN 0.271 nan 8.280 nan 0.000 0.515 217 A N 0.226 123.089 122.820 0.072 0.000 1.917 217 A HA -0.300 4.021 4.320 0.001 0.000 0.219 217 A C 2.157 179.765 177.584 0.040 0.000 1.182 217 A CA 2.213 54.295 52.037 0.075 0.000 0.633 217 A CB -0.680 18.343 19.000 0.039 0.000 0.819 217 A HN 0.392 nan 8.150 nan 0.000 0.448 218 R N -1.072 119.385 120.500 -0.072 0.000 2.066 218 R HA -0.086 4.255 4.340 0.001 0.000 0.232 218 R C 1.702 178.055 176.300 0.088 0.000 1.131 218 R CA 1.672 57.743 56.100 -0.049 0.000 0.955 218 R CB -0.845 29.365 30.300 -0.150 0.000 0.851 218 R HN 0.394 nan 8.270 nan 0.000 0.432 219 F N 0.773 120.712 119.950 -0.018 0.000 2.087 219 F HA -0.198 4.330 4.527 0.001 0.000 0.299 219 F C 2.009 177.840 175.800 0.053 0.000 1.100 219 F CA 1.208 59.206 58.000 -0.004 0.000 1.226 219 F CB -0.977 38.016 39.000 -0.012 0.000 0.983 219 F HN 0.048 nan 8.300 nan 0.000 0.479 220 L N -0.980 120.424 121.223 0.302 0.000 2.478 220 L HA -0.026 4.315 4.340 0.001 0.000 0.223 220 L C 2.316 179.282 176.870 0.160 0.000 1.140 220 L CA 0.712 55.689 54.840 0.229 0.000 0.842 220 L CB -0.692 41.511 42.059 0.239 0.000 0.953 220 L HN 0.090 nan 8.230 nan 0.000 0.452 221 A N -0.061 122.838 122.820 0.133 0.000 2.132 221 A HA 0.246 4.567 4.320 0.001 0.000 0.213 221 A C 1.416 179.045 177.584 0.075 0.000 1.154 221 A CA 0.540 52.633 52.037 0.093 0.000 0.753 221 A CB -0.503 18.541 19.000 0.073 0.000 0.826 221 A HN 0.317 nan 8.150 nan 0.000 0.469 222 G N 0.230 109.083 108.800 0.089 0.000 2.599 222 G HA2 0.465 4.425 3.960 0.001 0.000 0.264 222 G HA3 0.465 4.425 3.960 0.001 0.000 0.264 222 G C -2.748 172.177 174.900 0.041 0.000 1.200 222 G CA -1.064 44.073 45.100 0.062 0.000 0.896 222 G HN 0.158 nan 8.290 nan 0.000 0.536 223 P HA 0.283 nan 4.420 nan 0.000 0.276 223 P C -0.327 176.967 177.300 -0.009 0.000 1.243 223 P CA -0.234 62.866 63.100 0.000 0.000 0.768 223 P CB 0.783 32.479 31.700 -0.007 0.000 0.856 224 R N 4.068 124.554 120.500 -0.023 0.000 2.643 224 R HA 0.381 4.722 4.340 0.001 0.000 0.272 224 R C -1.474 174.752 176.300 -0.123 0.000 0.995 224 R CA -1.884 54.187 56.100 -0.049 0.000 1.032 224 R CB -0.526 29.764 30.300 -0.016 0.000 1.126 224 R HN 0.312 nan 8.270 nan 0.000 0.505 225 P HA 0.167 nan 4.420 nan 0.000 0.236 225 P C 0.053 177.089 177.300 -0.440 0.000 1.177 225 P CA 0.352 63.319 63.100 -0.223 0.000 0.773 225 P CB 0.537 32.210 31.700 -0.045 0.000 0.878 226 G N -1.060 107.306 108.800 -0.723 0.000 2.352 226 G HA2 0.167 4.128 3.960 0.001 0.000 0.283 226 G HA3 0.167 4.128 3.960 0.001 0.000 0.283 226 G C -1.843 172.724 174.900 -0.555 0.000 1.308 226 G CA -1.050 43.673 45.100 -0.627 0.000 0.892 226 G HN 0.193 nan 8.290 nan 0.000 0.504 227 R N 0.171 120.629 120.500 -0.070 0.000 2.393 227 R HA 0.634 4.974 4.340 0.001 0.000 0.310 227 R C 0.421 177.035 176.300 0.523 0.000 0.968 227 R CA -0.105 56.176 56.100 0.301 0.000 0.867 227 R CB 1.447 31.860 30.300 0.187 0.000 1.124 227 R HN 0.744 nan 8.270 nan 0.000 0.450 228 S N 1.370 117.445 115.700 0.626 0.000 2.572 228 S HA -0.031 4.440 4.470 0.001 0.000 0.279 228 S C 1.202 175.978 174.600 0.294 0.000 1.341 228 S CA 0.032 58.458 58.200 0.376 0.000 1.043 228 S CB 0.862 64.147 63.200 0.142 0.000 0.887 228 S HN 0.742 nan 8.310 nan 0.000 0.516 229 S N 3.520 119.332 115.700 0.188 0.000 2.562 229 S HA 0.297 4.768 4.470 0.001 0.000 0.221 229 S C 0.732 175.408 174.600 0.128 0.000 0.975 229 S CA 0.055 58.343 58.200 0.146 0.000 0.918 229 S CB -0.421 62.837 63.200 0.097 0.000 0.772 229 S HN 0.989 nan 8.310 nan 0.000 0.531 230 A N 3.688 126.582 122.820 0.123 0.000 2.462 230 A HA 0.523 4.844 4.320 0.001 0.000 0.243 230 A C -1.927 175.749 177.584 0.153 0.000 1.076 230 A CA -1.370 50.729 52.037 0.104 0.000 0.773 230 A CB -0.263 18.780 19.000 0.072 0.000 1.010 230 A HN 0.410 nan 8.150 nan 0.000 0.493 231 P HA 0.304 nan 4.420 nan 0.000 0.271 231 P C -0.846 176.639 177.300 0.308 0.000 1.218 231 P CA -0.074 63.169 63.100 0.238 0.000 0.780 231 P CB 0.931 32.715 31.700 0.141 0.000 0.901 232 V N 3.652 123.700 119.914 0.223 0.000 2.540 232 V HA 0.244 4.365 4.120 0.001 0.000 0.302 232 V C 0.095 175.964 176.094 -0.375 0.000 1.035 232 V CA -0.787 61.457 62.300 -0.093 0.000 0.873 232 V CB 1.616 33.354 31.823 -0.142 0.000 0.992 232 V HN 0.415 nan 8.190 nan 0.000 0.428 233 L N 6.274 126.922 121.223 -0.958 0.000 2.265 233 L HA 0.614 4.955 4.340 0.001 0.000 0.289 233 L C -0.713 175.796 176.870 -0.600 0.000 1.033 233 L CA -0.209 53.969 54.840 -1.103 0.000 0.814 233 L CB 1.240 42.210 42.059 -1.816 0.000 1.203 233 L HN 0.635 nan 8.230 nan 0.000 0.423 234 L N 6.955 127.937 121.223 -0.402 0.000 2.255 234 L HA 0.544 4.884 4.340 0.001 0.000 0.289 234 L C -0.969 175.771 176.870 -0.216 0.000 1.046 234 L CA -0.003 54.668 54.840 -0.282 0.000 0.816 234 L CB 1.197 43.136 42.059 -0.200 0.000 1.197 234 L HN 0.423 nan 8.230 nan 0.000 0.427 235 V N 6.315 126.124 119.914 -0.175 0.000 2.398 235 V HA 0.579 4.699 4.120 0.001 0.000 0.286 235 V C 0.103 176.163 176.094 -0.057 0.000 1.026 235 V CA -0.607 61.630 62.300 -0.104 0.000 0.868 235 V CB 1.330 33.109 31.823 -0.073 0.000 0.982 235 V HN 0.696 nan 8.190 nan 0.000 0.443 236 R N 2.996 123.470 120.500 -0.044 0.000 2.534 236 R HA 0.744 5.085 4.340 0.001 0.000 0.301 236 R C -0.106 176.220 176.300 0.043 0.000 0.961 236 R CA -0.571 55.519 56.100 -0.017 0.000 0.871 236 R CB 2.113 32.361 30.300 -0.086 0.000 1.170 236 R HN 0.820 nan 8.270 nan 0.000 0.446 237 A N 1.499 124.403 122.820 0.140 0.000 2.507 237 A HA 0.100 4.421 4.320 0.001 0.000 0.235 237 A C 0.555 178.299 177.584 0.266 0.000 1.070 237 A CA 0.004 52.168 52.037 0.211 0.000 0.768 237 A CB 0.410 19.609 19.000 0.332 0.000 1.011 237 A HN 0.803 nan 8.150 nan 0.000 0.502 238 S N 0.107 115.953 115.700 0.244 0.000 2.502 238 S HA 0.084 4.554 4.470 0.001 0.000 0.215 238 S C 0.154 175.022 174.600 0.447 0.000 1.009 238 S CA 0.050 58.416 58.200 0.276 0.000 0.908 238 S CB 0.100 63.360 63.200 0.101 0.000 0.801 238 S HN 0.771 nan 8.310 nan 0.000 0.505 239 E N 2.634 123.012 120.200 0.297 0.000 2.171 239 E HA 0.355 4.706 4.350 0.001 0.000 0.271 239 E C -2.958 173.373 176.600 -0.448 0.000 0.916 239 E CA -2.962 53.442 56.400 0.008 0.000 0.774 239 E CB 0.835 30.509 29.700 -0.044 0.000 1.128 239 E HN 0.070 nan 8.360 nan 0.000 0.403 240 P HA 0.030 nan 4.420 nan 0.000 0.271 240 P C 0.698 177.308 177.300 -1.149 0.000 1.216 240 P CA -0.439 61.688 63.100 -1.622 0.000 0.776 240 P CB 1.104 31.938 31.700 -1.444 0.000 0.881 241 L N 2.673 122.949 121.223 -1.578 0.000 2.141 241 L HA 0.145 4.486 4.340 0.001 0.000 0.209 241 L C 1.088 177.252 176.870 -1.177 0.000 1.094 241 L CA 2.138 56.291 54.840 -1.144 0.000 0.763 241 L CB -0.885 40.635 42.059 -0.898 0.000 0.908 241 L HN 0.630 nan 8.230 nan 0.000 0.437 242 G N -2.354 105.342 108.800 -1.840 0.000 3.085 242 G HA2 0.245 4.205 3.960 0.001 0.000 0.264 242 G HA3 0.245 4.205 3.960 0.001 0.000 0.264 242 G C -1.624 173.067 174.900 -0.348 0.000 1.206 242 G CA -0.259 44.290 45.100 -0.918 0.000 0.809 242 G HN -0.021 nan 8.290 nan 0.000 0.592 243 D N -0.557 119.888 120.400 0.075 0.000 2.345 243 D HA 0.404 5.044 4.640 0.001 0.000 0.247 243 D C -0.931 175.703 176.300 0.556 0.000 1.108 243 D CA -0.065 54.069 54.000 0.222 0.000 0.894 243 D CB 0.741 41.630 40.800 0.149 0.000 1.203 243 D HN 0.329 nan 8.370 nan 0.000 0.430 244 W N 4.217 125.624 121.300 0.178 0.000 3.615 244 W HA 0.187 4.848 4.660 0.001 0.000 0.319 244 W C -1.348 175.256 176.519 0.142 0.000 1.172 244 W CA -0.576 56.894 57.345 0.209 0.000 1.240 244 W CB 1.226 30.868 29.460 0.302 0.000 1.313 244 W HN 0.355 nan 8.180 nan 0.000 0.487 245 Q N 3.541 123.173 119.800 -0.281 0.000 2.288 245 Q HA -0.028 4.313 4.340 0.001 0.000 0.258 245 Q C 1.460 177.369 176.000 -0.152 0.000 0.957 245 Q CA 0.208 55.898 55.803 -0.189 0.000 0.919 245 Q CB 1.946 30.539 28.738 -0.242 0.000 1.185 245 Q HN 0.633 nan 8.270 nan 0.000 0.408 246 E N 3.583 123.832 120.200 0.082 0.000 2.114 246 E HA -0.300 4.051 4.350 0.001 0.000 0.199 246 E C 0.985 177.645 176.600 0.100 0.000 1.008 246 E CA 1.772 58.277 56.400 0.175 0.000 0.810 246 E CB 0.217 30.004 29.700 0.145 0.000 0.739 246 E HN 0.737 nan 8.360 nan 0.000 0.456 247 E N 0.447 120.650 120.200 0.005 0.000 2.472 247 E HA -0.169 4.182 4.350 0.001 0.000 0.200 247 E C 1.639 178.210 176.600 -0.049 0.000 1.046 247 E CA 0.522 56.914 56.400 -0.013 0.000 0.871 247 E CB -0.265 29.416 29.700 -0.032 0.000 0.806 247 E HN 0.357 nan 8.360 nan 0.000 0.533 248 R N 0.773 121.191 120.500 -0.136 0.000 2.276 248 R HA 0.152 4.493 4.340 0.001 0.000 0.196 248 R C 0.925 177.304 176.300 0.132 0.000 0.961 248 R CA 0.614 56.596 56.100 -0.197 0.000 1.024 248 R CB 0.332 30.163 30.300 -0.782 0.000 0.940 248 R HN 0.312 nan 8.270 nan 0.000 0.480 249 G N 1.171 110.138 108.800 0.278 0.000 2.466 249 G HA2 -0.219 3.742 3.960 0.001 0.000 0.316 249 G HA3 -0.219 3.742 3.960 0.001 0.000 0.316 249 G C -1.455 173.739 174.900 0.490 0.000 1.270 249 G CA -0.598 44.696 45.100 0.323 0.000 0.982 249 G HN 0.181 nan 8.290 nan 0.000 0.506 250 D N 1.013 121.542 120.400 0.215 0.000 2.348 250 D HA 0.310 4.951 4.640 0.001 0.000 0.253 250 D C 1.687 177.889 176.300 -0.165 0.000 1.161 250 D CA -0.113 53.873 54.000 -0.024 0.000 0.876 250 D CB 0.205 40.926 40.800 -0.132 0.000 1.160 250 D HN 0.564 nan 8.370 nan 0.000 0.459 251 W N 3.772 124.823 121.300 -0.416 0.000 3.003 251 W HA 0.155 4.815 4.660 0.001 0.000 0.257 251 W C 0.345 176.716 176.519 -0.247 0.000 1.308 251 W CA -0.621 56.185 57.345 -0.899 0.000 1.529 251 W CB -0.376 28.328 29.460 -1.261 0.000 1.115 251 W HN 0.102 nan 8.180 nan 0.000 0.659 252 R N 1.463 121.561 120.500 -0.671 0.000 2.784 252 R HA 0.293 4.634 4.340 0.001 0.000 0.266 252 R C 0.747 176.879 176.300 -0.280 0.000 1.044 252 R CA 0.119 55.881 56.100 -0.564 0.000 1.151 252 R CB 0.437 30.277 30.300 -0.767 0.000 1.037 252 R HN -0.038 nan 8.270 nan 0.000 0.478 253 A N 1.451 124.022 122.820 -0.415 0.000 2.547 253 A HA -0.005 4.316 4.320 0.001 0.000 0.233 253 A C -0.377 176.989 177.584 -0.364 0.000 1.067 253 A CA 0.489 52.045 52.037 -0.801 0.000 0.763 253 A CB 0.069 18.794 19.000 -0.458 0.000 1.007 253 A HN 0.821 nan 8.150 nan 0.000 0.506 254 H N -0.027 118.803 119.070 -0.401 0.000 2.806 254 H HA 0.594 5.151 4.556 0.001 0.000 0.367 254 H C -1.540 173.734 175.328 -0.091 0.000 1.136 254 H CA -0.636 55.257 56.048 -0.259 0.000 1.178 254 H CB 1.035 30.582 29.762 -0.358 0.000 1.718 254 H HN 0.780 nan 8.280 nan 0.000 0.540 255 W N 4.352 124.993 121.300 -1.098 0.000 3.138 255 W HA 0.236 4.897 4.660 0.001 0.000 0.331 255 W C -1.255 174.679 176.519 -0.974 0.000 1.166 255 W CA -0.705 56.121 57.345 -0.865 0.000 1.212 255 W CB 2.278 31.475 29.460 -0.438 0.000 1.399 255 W HN 0.653 nan 8.180 nan 0.000 0.514 256 D N 4.936 124.847 120.400 -0.815 0.000 2.401 256 D HA 0.173 4.814 4.640 0.001 0.000 0.254 256 D C 0.716 176.935 176.300 -0.135 0.000 1.192 256 D CA 0.758 54.536 54.000 -0.369 0.000 0.885 256 D CB 0.744 41.358 40.800 -0.309 0.000 1.147 256 D HN 0.402 nan 8.370 nan 0.000 0.478 257 L N 1.647 122.829 121.223 -0.068 0.000 3.713 257 L HA -0.195 4.146 4.340 0.001 0.000 0.499 257 L C -1.785 175.123 176.870 0.062 0.000 1.281 257 L CA -0.423 54.419 54.840 0.003 0.000 0.796 257 L CB -1.392 40.676 42.059 0.015 0.000 1.535 257 L HN 0.339 nan 8.230 nan 0.000 0.851 258 P HA -0.009 nan 4.420 nan 0.000 0.272 258 P C 0.867 178.219 177.300 0.086 0.000 1.230 258 P CA -0.088 63.054 63.100 0.070 0.000 0.788 258 P CB 0.603 32.288 31.700 -0.026 0.000 0.949 259 H N 1.067 120.172 119.070 0.058 0.000 2.353 259 H HA -0.010 4.547 4.556 0.001 0.000 0.300 259 H C -0.286 175.109 175.328 0.112 0.000 1.090 259 H CA 1.358 57.489 56.048 0.138 0.000 1.327 259 H CB 0.332 30.277 29.762 0.304 0.000 1.383 259 H HN 0.340 nan 8.280 nan 0.000 0.508 260 T N 0.952 115.600 114.554 0.157 0.000 2.923 260 T HA 0.454 4.805 4.350 0.001 0.000 0.311 260 T C -1.136 173.502 174.700 -0.104 0.000 1.183 260 T CA -0.636 61.492 62.100 0.046 0.000 1.020 260 T CB 2.846 71.831 68.868 0.194 0.000 1.165 260 T HN -0.044 nan 8.240 nan 0.000 0.482 261 V N 1.509 121.375 119.914 -0.079 0.000 2.555 261 V HA 0.896 5.017 4.120 0.001 0.000 0.302 261 V C -0.281 175.765 176.094 -0.080 0.000 1.038 261 V CA -0.819 61.419 62.300 -0.103 0.000 0.887 261 V CB 1.589 33.363 31.823 -0.081 0.000 0.991 261 V HN 1.135 nan 8.190 nan 0.000 0.434 262 A N 2.928 125.692 122.820 -0.093 0.000 2.374 262 A HA 0.744 5.065 4.320 0.001 0.000 0.305 262 A C -1.018 176.534 177.584 -0.053 0.000 1.053 262 A CA -0.685 51.318 52.037 -0.058 0.000 0.726 262 A CB 0.988 19.958 19.000 -0.051 0.000 1.229 262 A HN 0.763 nan 8.150 nan 0.000 0.431 263 D N 1.962 122.340 120.400 -0.037 0.000 2.193 263 D HA 0.477 5.118 4.640 0.001 0.000 0.244 263 D C -0.052 176.235 176.300 -0.022 0.000 1.064 263 D CA 0.085 54.067 54.000 -0.030 0.000 0.845 263 D CB 2.087 42.870 40.800 -0.029 0.000 1.148 263 D HN 0.519 nan 8.370 nan 0.000 0.464 264 V N -0.319 119.584 119.914 -0.018 0.000 2.960 264 V HA 0.665 4.786 4.120 0.001 0.000 0.315 264 V C -2.840 173.207 176.094 -0.079 0.000 1.087 264 V CA -2.578 59.701 62.300 -0.036 0.000 0.982 264 V CB 1.849 33.663 31.823 -0.015 0.000 1.039 264 V HN 0.209 nan 8.190 nan 0.000 0.437 265 P HA 0.571 nan 4.420 nan 0.000 0.272 265 P C 0.338 177.399 177.300 -0.399 0.000 1.230 265 P CA 1.443 64.296 63.100 -0.413 0.000 0.788 265 P CB 0.593 31.797 31.700 -0.827 0.000 0.949 266 G N 0.762 109.422 108.800 -0.234 0.000 2.541 266 G HA2 0.138 4.099 3.960 0.001 0.000 0.686 266 G HA3 0.138 4.099 3.960 0.001 0.000 0.686 266 G C -1.290 173.662 174.900 0.087 0.000 1.286 266 G CA -0.304 44.824 45.100 0.047 0.000 0.894 266 G HN 0.716 nan 8.290 nan 0.000 0.575 267 D N -2.177 118.288 120.400 0.108 0.000 2.564 267 D HA 0.551 5.192 4.640 0.001 0.000 0.273 267 D C 1.286 177.682 176.300 0.161 0.000 1.192 267 D CA -0.030 54.025 54.000 0.091 0.000 1.080 267 D CB 0.153 40.937 40.800 -0.026 0.000 1.160 267 D HN 0.624 nan 8.370 nan 0.000 0.607 268 H N -0.997 118.095 119.070 0.038 0.000 2.362 268 H HA -0.194 4.362 4.556 0.001 0.000 0.294 268 H C 1.348 176.664 175.328 -0.020 0.000 1.113 268 H CA 2.117 58.165 56.048 -0.001 0.000 1.253 268 H CB -0.219 29.428 29.762 -0.192 0.000 1.363 268 H HN 0.420 nan 8.280 nan 0.000 0.494 269 F N -1.131 118.913 119.950 0.156 0.000 2.220 269 F HA -0.048 4.480 4.527 0.001 0.000 0.290 269 F C 2.872 178.697 175.800 0.042 0.000 1.080 269 F CA 1.131 59.186 58.000 0.092 0.000 1.318 269 F CB -0.461 38.589 39.000 0.084 0.000 1.063 269 F HN 0.269 nan 8.300 nan 0.000 0.498 270 T N -0.951 113.747 114.554 0.240 0.000 2.995 270 T HA -0.183 4.168 4.350 0.001 0.000 0.269 270 T C 1.872 176.671 174.700 0.165 0.000 1.091 270 T CA 1.011 63.212 62.100 0.167 0.000 1.128 270 T CB -0.719 68.251 68.868 0.169 0.000 0.891 270 T HN 0.417 nan 8.240 nan 0.000 0.492 271 M N -0.115 119.571 119.600 0.143 0.000 2.192 271 M HA -0.000 4.481 4.480 0.001 0.000 0.259 271 M C 1.737 178.037 176.300 -0.001 0.000 1.071 271 M CA 1.719 57.076 55.300 0.095 0.000 1.082 271 M CB -0.825 31.799 32.600 0.040 0.000 1.373 271 M HN 0.092 nan 8.290 nan 0.000 0.408 272 M N 0.819 120.359 119.600 -0.100 0.000 2.453 272 M HA 0.185 4.665 4.480 0.001 0.000 0.239 272 M C 1.078 177.332 176.300 -0.077 0.000 1.151 272 M CA 0.490 55.690 55.300 -0.166 0.000 0.989 272 M CB -0.335 32.025 32.600 -0.401 0.000 1.548 272 M HN 0.562 nan 8.290 nan 0.000 0.479 273 R N -1.720 118.752 120.500 -0.046 0.000 4.512 273 R HA 0.254 4.595 4.340 0.001 0.000 0.113 273 R C 0.927 177.166 176.300 -0.102 0.000 1.445 273 R CA -0.317 55.750 56.100 -0.055 0.000 1.001 273 R CB -0.328 29.954 30.300 -0.029 0.000 1.175 273 R HN -0.133 nan 8.270 nan 0.000 0.408 274 D N 1.659 121.971 120.400 -0.147 0.000 2.268 274 D HA -0.196 4.444 4.640 0.001 0.000 0.189 274 D C 1.106 177.123 176.300 -0.471 0.000 1.010 274 D CA 1.787 55.579 54.000 -0.346 0.000 0.862 274 D CB -0.365 40.163 40.800 -0.453 0.000 0.943 274 D HN 0.441 nan 8.370 nan 0.000 0.451 275 H N -0.894 118.160 119.070 -0.026 0.000 2.488 275 H HA 0.556 5.113 4.556 0.001 0.000 0.294 275 H C 1.528 176.825 175.328 -0.051 0.000 1.088 275 H CA 0.293 56.323 56.048 -0.031 0.000 1.086 275 H CB 0.238 29.991 29.762 -0.015 0.000 1.569 275 H HN 0.083 nan 8.280 nan 0.000 0.548 276 A N 2.294 125.106 122.820 -0.014 0.000 1.917 276 A HA -0.109 4.211 4.320 0.001 0.000 0.219 276 A C -0.199 177.339 177.584 -0.078 0.000 1.182 276 A CA 1.126 53.133 52.037 -0.050 0.000 0.633 276 A CB -1.132 17.822 19.000 -0.078 0.000 0.819 276 A HN 0.271 nan 8.150 nan 0.000 0.448 277 P HA -0.157 nan 4.420 nan 0.000 0.216 277 P C 1.674 178.936 177.300 -0.065 0.000 1.150 277 P CA 1.916 64.955 63.100 -0.102 0.000 0.843 277 P CB -0.110 31.548 31.700 -0.070 0.000 0.787 278 A N -0.764 122.053 122.820 -0.006 0.000 1.898 278 A HA -0.142 4.178 4.320 0.001 0.000 0.216 278 A C 2.306 179.891 177.584 0.001 0.000 1.181 278 A CA 1.679 53.721 52.037 0.009 0.000 0.620 278 A CB -1.648 17.373 19.000 0.035 0.000 0.819 278 A HN 0.025 nan 8.150 nan 0.000 0.442 279 V N -0.020 119.893 119.914 -0.000 0.000 2.261 279 V HA -0.268 3.853 4.120 0.001 0.000 0.246 279 V C 3.078 179.192 176.094 0.032 0.000 1.047 279 V CA 2.018 64.327 62.300 0.015 0.000 1.015 279 V CB -1.366 30.467 31.823 0.017 0.000 0.642 279 V HN 0.609 nan 8.190 nan 0.000 0.446 280 A N -0.456 122.322 122.820 -0.069 0.000 1.908 280 A HA -0.308 4.012 4.320 0.001 0.000 0.218 280 A C 2.314 179.879 177.584 -0.031 0.000 1.181 280 A CA 2.192 54.106 52.037 -0.205 0.000 0.627 280 A CB -0.573 18.005 19.000 -0.703 0.000 0.818 280 A HN 0.653 nan 8.150 nan 0.000 0.445 281 E N -0.203 119.976 120.200 -0.035 0.000 2.077 281 E HA -0.123 4.228 4.350 0.001 0.000 0.193 281 E C 2.157 178.802 176.600 0.075 0.000 0.989 281 E CA 1.013 57.423 56.400 0.017 0.000 0.800 281 E CB -0.265 29.435 29.700 0.001 0.000 0.746 281 E HN 0.534 nan 8.360 nan 0.000 0.452 282 A N 0.579 123.442 122.820 0.070 0.000 1.902 282 A HA -0.143 4.177 4.320 0.001 0.000 0.217 282 A C 2.396 180.078 177.584 0.163 0.000 1.181 282 A CA 1.507 53.597 52.037 0.089 0.000 0.623 282 A CB -0.656 18.366 19.000 0.037 0.000 0.818 282 A HN 0.231 nan 8.150 nan 0.000 0.443 283 V N 0.134 120.170 119.914 0.205 0.000 2.307 283 V HA -0.252 3.869 4.120 0.001 0.000 0.245 283 V C 2.580 178.874 176.094 0.333 0.000 1.045 283 V CA 1.950 64.436 62.300 0.311 0.000 1.024 283 V CB -0.808 31.254 31.823 0.399 0.000 0.651 283 V HN 0.573 nan 8.190 nan 0.000 0.449 284 L N -0.162 121.240 121.223 0.300 0.000 2.012 284 L HA -0.179 4.162 4.340 0.001 0.000 0.210 284 L C 2.664 179.630 176.870 0.160 0.000 1.073 284 L CA 1.801 56.778 54.840 0.227 0.000 0.748 284 L CB -0.788 41.389 42.059 0.196 0.000 0.891 284 L HN 0.301 nan 8.230 nan 0.000 0.431 285 S N -0.951 114.843 115.700 0.158 0.000 2.370 285 S HA -0.256 4.215 4.470 0.001 0.000 0.226 285 S C 1.528 176.233 174.600 0.175 0.000 1.033 285 S CA 1.701 59.984 58.200 0.138 0.000 1.011 285 S CB -0.501 62.778 63.200 0.131 0.000 0.852 285 S HN 0.561 nan 8.310 nan 0.000 0.457 286 W N 2.198 123.520 121.300 0.036 0.000 2.381 286 W HA 0.036 4.696 4.660 0.001 0.000 0.301 286 W C 1.654 178.168 176.519 -0.010 0.000 1.205 286 W CA 0.792 58.151 57.345 0.022 0.000 1.285 286 W CB -0.514 28.957 29.460 0.018 0.000 1.133 286 W HN 0.187 nan 8.180 nan 0.000 0.521 287 L N 0.306 121.504 121.223 -0.042 0.000 2.083 287 L HA -0.222 4.119 4.340 0.001 0.000 0.209 287 L C 2.244 178.979 176.870 -0.225 0.000 1.083 287 L CA 1.572 56.260 54.840 -0.252 0.000 0.752 287 L CB -0.907 41.103 42.059 -0.081 0.000 0.899 287 L HN -0.118 nan 8.230 nan 0.000 0.433 288 D N 0.351 120.691 120.400 -0.100 0.000 2.104 288 D HA -0.186 4.455 4.640 0.001 0.000 0.194 288 D C 2.252 178.485 176.300 -0.111 0.000 0.994 288 D CA 1.632 55.586 54.000 -0.077 0.000 0.830 288 D CB -0.115 40.675 40.800 -0.017 0.000 0.959 288 D HN 0.306 nan 8.370 nan 0.000 0.452 289 A N 1.172 123.924 122.820 -0.113 0.000 1.908 289 A HA -0.165 4.156 4.320 0.001 0.000 0.218 289 A C 2.324 179.790 177.584 -0.197 0.000 1.181 289 A CA 1.718 53.695 52.037 -0.100 0.000 0.627 289 A CB -0.896 18.102 19.000 -0.002 0.000 0.818 289 A HN 0.463 nan 8.150 nan 0.000 0.445 290 I N -3.150 117.166 120.570 -0.423 0.000 3.251 290 I HA 0.116 4.287 4.170 0.001 0.000 0.277 290 I C 0.759 176.691 176.117 -0.307 0.000 1.268 290 I CA 0.304 61.321 61.300 -0.472 0.000 1.449 290 I CB -0.116 37.360 38.000 -0.874 0.000 1.083 290 I HN 0.215 nan 8.210 nan 0.000 0.464 291 E N 0.000 120.050 120.200 -0.249 0.000 2.725 291 E HA 0.000 4.351 4.350 0.001 0.000 0.291 291 E CA 0.000 56.299 56.400 -0.169 0.000 0.976 291 E CB 0.000 29.609 29.700 -0.151 0.000 0.812 291 E HN 0.000 nan 8.360 nan 0.000 0.440